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

Systemtic Name: N-(4-acetamidophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S/c1-4-14-27-20(17-8-6-5-7-9-17)25-26-22(27)30-15(2)21(29)24-19-12-10-18(11-13-19)23-16(3)28/h4,10-13,15,17H,1,5-9,14H2,2-3H3,(H,23,28)(H,24,29)