N-(pyridin-3-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline

Systemtic Name: N-(pyridin-3-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-(3-pyridylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-(3-pyridinylmethyl)-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-(pyridin-3-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: 3-pyridylmethyl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C14H13N5S MolecularWeight: 283.35152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

C1=CC(=CN=C1)CNC2=CC=C(C=C2)SC3=NC=NN3

InChI

InChI=1S/C14H13N5S/c1-2-11(8-15-7-1)9-16-12-3-5-13(6-4-12)20-14-17-10-18-19-14/h1-8,10,16H,9H2,(H,17,18,19)