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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H20ClN5OS/c1-12-3-4-15(21)11-17(12)23-19(27)13(2)28-20-25-24-18(26(20)16-5-6-16)14-7-9-22-10-8-14/h3-4,7-11,13,16H,5-6H2,1-2H3,(H,23,27)