4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile

Systemtic Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: 4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=O)NC(=S)N2)C#N)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(C(=O)NC(=S)N2)C#N)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O3S/c1-25-16-8-12(17-14(9-21)18(24)23-19(27)22-17)4-7-15(16)26-10-11-2-5-13(20)6-3-11/h2-8,14,17H,10H2,1H3,(H2,22,23,24,27)