N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-(4-chlorophenyl)-3-(4-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-chlorophenyl)-3-(pyridin-4-ylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: (4-chlorophenyl)-[3-(4-pyridylmethylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C14H12ClN5S MolecularWeight: 317.79658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NN2)SCC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NN2)SCC3=CC=NC=C3)Cl

InChI

InChI=1S/C14H12ClN5S/c15-11-1-3-12(4-2-11)17-13-18-14(20-19-13)21-9-10-5-7-16-8-6-10/h1-8H,9H2,(H2,17,18,19,20)