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

Systemtic Name: 3-(1H-indol-2-ylmethylsulfanyl)-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-(1H-indol-2-ylmethylsulfanyl)-N-(p-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-(1H-indol-2-ylmethylthio)-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(1H-indol-2-ylmethylsulfanyl)-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(1H-indol-2-ylmethylthio)-1H-1,2,4-triazol-5-yl]-(p-tolyl)amine Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C18H17N5S/c1-12-6-8-14(9-7-12)20-17-21-18(23-22-17)24-11-15-10-13-4-2-3-5-16(13)19-15/h2-10,19H,11H2,1H3,(H2,20,21,22,23)