N-[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: N-[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: N-[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C21H15ClN4OS MolecularWeight: 406.888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN4OS/c22-16-8-12-18(13-9-16)26-19(24-25-21(26)28)14-6-10-17(11-7-14)23-20(27)15-4-2-1-3-5-15/h1-13H,(H,23,27)(H,25,28)