N-(4-chloranyl-3-methyl-phenyl)-4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C)C4CC4

InChI

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