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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-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-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-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-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

InChI=1S/C17H22N6O2S/c1-4-10-23-15(13-6-8-18-9-7-13)21-22-17(23)26-11-14(24)20-16(25)19-12(3)5-2/h4,6-9,12H,1,5,10-11H2,2-3H3,(H2,19,20,24,25)/t12-/m0/s1