N-(4-methoxy-2-methyl-phenyl)-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-(4-methoxy-2-methyl-phenyl)-3-(2-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-methoxy-2-methylphenyl)-3-(2-pyridinylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: (4-methoxy-2-methyl-phenyl)-[3-(2-pyridylmethylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC2=NC(=NN2)SCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC2=NC(=NN2)SCC3=CC=CC=N3

InChI

InChI=1S/C16H17N5OS/c1-11-9-13(22-2)6-7-14(11)18-15-19-16(21-20-15)23-10-12-5-3-4-8-17-12/h3-9H,10H2,1-2H3,(H2,18,19,20,21)