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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NCCC2=CCCCC2)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NCCC2=CCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C21H29N5OS/c1-3-15-26-19(18-10-12-22-13-11-18)24-25-21(26)28-16(2)20(27)23-14-9-17-7-5-4-6-8-17/h7,10-13,16H,3-6,8-9,14-15H2,1-2H3,(H,23,27)