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

Systemtic Name: N-(3-methylbutylcarbamoyl)-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-(isopentylcarbamoyl)acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-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-(isoamylcarbamoyl)acetamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2S/c1-4-11-24-16(14-6-8-19-9-7-14)22-23-18(24)27-12-15(25)21-17(26)20-10-5-13(2)3/h4,6-9,13H,1,5,10-12H2,2-3H3,(H2,20,21,25,26)