phenyl-[3-phenyl-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: phenyl-[3-phenyl-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]methanone Openeye Name: phenyl-[3-phenyl-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]methanone CAS Name: [5-(mercaptomethyl)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone IUPAC Name: phenyl-[3-phenyl-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]methanone Traditional Name: [5-(mercaptomethyl)-3-phenyl-1,2,4-triazol-1-yl]-phenyl-methanone Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)CS)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)CS)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3OS/c20-16(13-9-5-2-6-10-13)19-14(11-21)17-15(18-19)12-7-3-1-4-8-12/h1-10,21H,11H2