1-(4-chlorophenyl)carbonyl-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]azepan-2-one

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]azepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]azepan-2-one Formula: C21H18ClN3O2S3 MolecularWeight: 476.03452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NN(C(=S)S2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NN(C(=S)S2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O2S3/c22-15-11-9-14(10-12-15)18(26)24-13-5-4-8-17(19(24)27)29-20-23-25(21(28)30-20)16-6-2-1-3-7-16/h1-3,6-7,9-12,17H,4-5,8,13H2