3-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 3-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 3-[[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 3-[[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C19H13Cl2N5S MolecularWeight: 414.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CN=C1)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

InChI

InChI=1S/C19H13Cl2N5S/c20-16-4-3-15(10-17(16)21)26-18(14-5-8-22-9-6-14)24-25-19(26)27-12-13-2-1-7-23-11-13/h1-11H,12H2