3-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C16H11ClN4OS2 MolecularWeight: 374.86774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CC3=NNC(=S)N3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CC3=NNC(=S)N3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H11ClN4OS2/c17-10-5-7-11(8-6-10)21-14(18-19-15(21)23)9-20-12-3-1-2-4-13(12)24-16(20)22/h1-8H,9H2,(H,19,23)