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

Systemtic Name: N-(butylcarbamoyl)-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-(butylcarbamoyl)acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(butylcarbamoyl)-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-(butylcarbamoyl)acetamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

InChI=1S/C17H22N6O2S/c1-3-5-8-19-16(25)20-14(24)12-26-17-22-21-15(23(17)11-4-2)13-6-9-18-10-7-13/h4,6-7,9-10H,2-3,5,8,11-12H2,1H3,(H2,19,20,24,25)