phenyl-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: phenyl-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: phenyl-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: phenyl-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: phenyl-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: phenyl-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

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