3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 5-phenyl-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(4-methylbenzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3S/c1-12-7-9-13(10-8-12)11-20-16-17-15(18-19-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18,19)