N-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-isopropylphenyl)methylsulfanyl]-N-(p-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-isopropylbenzyl)thio]-1H-1,2,4-triazol-5-yl]-(p-tolyl)amine Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=C(C=C3)C(C)C

InChI

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