3-[3-cyclopropyl-5-[2-(4-hexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[2-(4-hexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-(4-hexylphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-(4-hexylphenyl)-2-oxoethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-(4-hexylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-(4-hexylphenyl)-2-keto-ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C22H30N4O2S/c1-2-3-4-5-6-16-7-9-17(10-8-16)19(27)15-29-22-25-24-21(18-11-12-18)26(22)14-13-20(23)28/h7-10,18H,2-6,11-15H2,1H3,(H2,23,28)