1,3-dibutyl-5-(4-phenyl-1,3-dithiol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-dibutyl-5-(4-phenyl-1,3-dithiol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-dibutyl-5-(4-phenyl-1,3-dithiol-2-ylidene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-dibutyl-5-(4-phenyl-1,3-dithiol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-dibutyl-5-(4-phenyl-1,3-dithiol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-dibutyl-5-(4-phenyl-1,3-dithiol-2-ylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H24N2O2S3 MolecularWeight: 432.62246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C2SC=C(S2)C3=CC=CC=C3)C(=O)N(C1=S)CCCC

Isomeric SMILES

CCCCN1C(=O)C(=C2SC=C(S2)C3=CC=CC=C3)C(=O)N(C1=S)CCCC

InChI

InChI=1S/C21H24N2O2S3/c1-3-5-12-22-18(24)17(19(25)23(21(22)26)13-6-4-2)20-27-14-16(28-20)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3