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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C22H30N4OS/c1-4-15-26-20(18-9-7-6-8-10-18)24-25-22(26)28-16(3)21(27)23-19-13-11-17(5-2)12-14-19/h4,11-14,16,18H,1,5-10,15H2,2-3H3,(H,23,27)