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

Systemtic Name: 2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C)C(=O)N)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C)C(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C17H16ClN5OS/c1-10-13(18)4-3-5-14(10)23-16(12-6-8-20-9-7-12)21-22-17(23)25-11(2)15(19)24/h3-9,11H,1-2H3,(H2,19,24)