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

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

InChI

InChI=1S/C22H23ClN4OS/c1-13-11-14(2)19(18(23)12-13)24-21(28)15(3)29-22-26-25-20(16-9-10-16)27(22)17-7-5-4-6-8-17/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,24,28)