N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H22ClN5OS MolecularWeight: 427.95028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5OS/c1-12-10-13(2)18(17(22)11-12)24-20(28)14(3)29-21-26-25-19(27(21)16-4-5-16)15-6-8-23-9-7-15/h6-11,14,16H,4-5H2,1-3H3,(H,24,28)