3-cyclopropyl-4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-cyclopropyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-cyclopropyl-4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-cyclopropyl-4-(p-tolyl)-1,2,4-triazole Formula: C19H19N3S MolecularWeight: 321.43926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C19H19N3S/c1-14-7-11-17(12-8-14)22-18(16-9-10-16)20-21-19(22)23-13-15-5-3-2-4-6-15/h2-8,11-12,16H,9-10,13H2,1H3