N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: N-(1-cyclohexenyl)-N-cyclopropyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(C2CC2)C3=CCCCC3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(C2CC2)C3=CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5OS/c1-2-14-25-20(16-10-12-22-13-11-16)23-24-21(25)28-15-19(27)26(18-8-9-18)17-6-4-3-5-7-17/h2,6,10-13,18H,1,3-5,7-9,14-15H2