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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[2-(cyclohexen-1-yl)ethyl]propionamide Formula: C24H28N4OS2 MolecularWeight: 452.63532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H28N4OS2/c1-18(23(29)25-15-14-19-9-4-2-5-10-19)31-24-27-26-22(21-13-8-16-30-21)28(24)17-20-11-6-3-7-12-20/h3,6-9,11-13,16,18H,2,4-5,10,14-15,17H2,1H3,(H,25,29)