phenyl-[3-[2-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]phenyl]methanone

Systemtic Name: phenyl-[3-[2-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]phenyl]methanone Openeye Name: [3-(2-benzyl-3-thioxo-1H-1,2,4-triazol-5-yl)phenyl]-phenyl-methanone CAS Name: phenyl-[3-[2-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]phenyl]methanone IUPAC Name: [3-(2-benzyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)phenyl]-phenylmethanone Traditional Name: [3-(2-benzyl-3-thioxo-1H-1,2,4-triazol-5-yl)phenyl]-phenyl-methanone Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)N=C(N2)C3=CC(=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)N=C(N2)C3=CC(=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3OS/c26-20(17-10-5-2-6-11-17)18-12-7-13-19(14-18)21-23-22(27)25(24-21)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,23,24,27)