5-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-phenyl-1H-1,2,4-triazole CAS Name: 5-phenyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-phenyl-1H-1,2,4-triazole Formula: C15H13N3S MolecularWeight: 267.34882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-19-15-16-14(17-18-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17,18)