(5Z)-5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-(4-chlorophenyl)-3-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-(4-chlorophenyl)-3-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylene]-1-(4-chlorophenyl)-3-ethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-3-pyrrolyl]methylidene]-1-(4-chlorophenyl)-3-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-chlorophenyl)-3-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylene]-1-(4-chlorophenyl)-3-ethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C35H36ClN3O2S MolecularWeight: 598.19724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)C)C(=O)N(C1=S)C7=CC=C(C=C7)Cl

Isomeric SMILES

CCN1C(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)C)/C(=O)N(C1=S)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C35H36ClN3O2S/c1-4-37-32(40)31(33(41)39(34(37)42)30-11-7-28(36)8-12-30)17-26-13-21(2)38(22(26)3)29-9-5-27(6-10-29)35-18-23-14-24(19-35)16-25(15-23)20-35/h5-13,17,23-25H,4,14-16,18-20H2,1-3H3/b31-17-