1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine Openeye Name: 1-[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: 1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine Traditional Name: 1-[5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethylamine Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4S/c1-13-7-9-17(10-8-13)23-18(15(3)20)21-22-19(23)24-12-16-6-4-5-14(2)11-16/h4-11,15H,12,20H2,1-3H3