3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H13Cl2N5OS MolecularWeight: 394.27832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCCC(=O)N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCCC(=O)N

InChI

InChI=1S/C16H13Cl2N5OS/c17-12-4-3-11(8-13(12)18)23-15(10-2-1-6-20-9-10)21-22-16(23)25-7-5-14(19)24/h1-4,6,8-9H,5,7H2,(H2,19,24)