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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-(p-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(4-chlorophenyl)methylthio]-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-(p-tolyl)amine Formula: C16H15ClN4S MolecularWeight: 330.8351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4S/c1-11-2-8-14(9-3-11)18-15-19-16(21-20-15)22-10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H2,18,19,20,21)