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

Systemtic Name: N-[4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]propanamide CAS Name: N-[4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]propionamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C22H28N4O2S/c1-3-14-26-21(17-8-6-5-7-9-17)24-25-22(26)29-15-19(27)16-10-12-18(13-11-16)23-20(28)4-2/h3,10-13,17H,1,4-9,14-15H2,2H3,(H,23,28)