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

Systemtic Name: 5-(4-methylphenyl)-3-phenethylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-phenethylsulfanyl-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-(phenethylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-phenethylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(phenethylthio)-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)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-13-7-9-15(10-8-13)16-18-17(20-19-16)21-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19,20)