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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C22H29N5O2S/c1-2-14-27-21(17-9-5-3-6-10-17)24-25-22(27)30-16-20(29)26(15-13-19(23)28)18-11-7-4-8-12-18/h2,4,7-8,11-12,17H,1,3,5-6,9-10,13-16H2,(H2,23,28)