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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-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-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxy-phenyl)propionamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O2S/c1-4-12-26-19(15-8-6-5-7-9-15)24-25-21(26)29-14(2)20(27)23-17-13-16(22)10-11-18(17)28-3/h4,10-11,13-15H,1,5-9,12H2,2-3H3,(H,23,27)