3-cyclopropyl-4-(3,4-dichlorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-4-(3,4-dichlorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclopropyl-4-(3,4-dichlorophenyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-cyclopropyl-4-(3,4-dichlorophenyl)-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-cyclopropyl-4-(3,4-dichlorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclopropyl-4-(3,4-dichlorophenyl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C19H17Cl2N3S MolecularWeight: 390.32938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4CC4

InChI

InChI=1S/C19H17Cl2N3S/c1-12-2-4-13(5-3-12)11-25-19-23-22-18(14-6-7-14)24(19)15-8-9-16(20)17(21)10-15/h2-5,8-10,14H,6-7,11H2,1H3