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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4OS/c1-13-12-16(22)10-11-18(13)23-20(27)14(2)28-21-25-24-19(15-8-9-15)26(21)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9H2,1-2H3,(H,23,27)