5-(4-methylphenyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-(1-phenylethylsulfanyl)-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-(1-phenylethylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 3-(1-phenylethylthio)-5-(p-tolyl)-1H-1,2,4-triazole Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-12-8-10-15(11-9-12)16-18-17(20-19-16)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,18,19,20)