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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NCCC2=CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NCCC2=CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4OS/c1-3-25-19(18-12-8-5-9-13-18)23-24-21(25)27-16(2)20(26)22-15-14-17-10-6-4-7-11-17/h5,8-10,12-13,16H,3-4,6-7,11,14-15H2,1-2H3,(H,22,26)