N-(4-methylphenyl)-3-phenethylsulfanyl-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-methylphenyl)-3-phenethylsulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-phenethylsulfanyl-N-(p-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-methylphenyl)-3-(phenethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-methylphenyl)-3-phenethylsulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-(phenethylthio)-1H-1,2,4-triazol-5-yl]-(p-tolyl)amine Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)SCCC3=CC=CC=C3

InChI

InChI=1S/C17H18N4S/c1-13-7-9-15(10-8-13)18-16-19-17(21-20-16)22-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,18,19,20,21)