N-(3-chloranyl-2-methyl-phenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C20H25ClN4OS/c1-3-12-25-19(15-8-5-4-6-9-15)23-24-20(25)27-13-18(26)22-17-11-7-10-16(21)14(17)2/h3,7,10-11,15H,1,4-6,8-9,12-13H2,2H3,(H,22,26)