N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H28N4OS/c1-16(21(27)23-15-14-17-8-4-2-5-9-17)28-22-25-24-20(18-12-13-18)26(22)19-10-6-3-7-11-19/h3,6-8,10-11,16,18H,2,4-5,9,12-15H2,1H3,(H,23,27)