2-[[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 2-[[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 2-[[[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 2-[[[5-(4-chlorobenzyl)-1H-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C15H13ClN4S MolecularWeight: 316.80852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NNC(=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NNC(=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H13ClN4S/c16-12-6-4-11(5-7-12)9-14-18-15(20-19-14)21-10-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,19,20)