N-(3-chlorophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chlorophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)propanamide CAS Name: N-(3-chlorophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-chlorophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-chlorophenyl)propionamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NN=C(N2CC=C)C3CCCCC3

InChI

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