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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-isobutyl-3-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-isobutyl-3-[(4-methylbenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3S/c1-15(2)13-23-19(18-7-5-4-6-8-18)21-22-20(23)24-14-17-11-9-16(3)10-12-17/h4-12,15H,13-14H2,1-3H3