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

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H24ClN5OS MolecularWeight: 405.94476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)C

InChI

InChI=1S/C19H24ClN5OS/c1-12-9-13(2)17(15(20)10-12)21-16(26)11-27-19-23-22-18(24-7-3-4-8-24)25(19)14-5-6-14/h9-10,14H,3-8,11H2,1-2H3,(H,21,26)