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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4OS/c1-15(18(24)20-13-12-16-8-4-2-5-9-16)25-19-21-14-23(22-19)17-10-6-3-7-11-17/h3,6-8,10-11,14-15H,2,4-5,9,12-13H2,1H3,(H,20,24)