5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-5-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]triazole-4-carboxamide CAS Name: 5-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-5-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]triazole-4-carboxamide Traditional Name: 1-benzyl-5-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]triazole-4-carboxamide Formula: C20H19N7O2S MolecularWeight: 421.47556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=C(N=NN2CC3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=C(N=NN2CC3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C20H19N7O2S/c1-12-8-13(2)23-20(15(12)9-21)30-11-16(28)24-19-17(18(22)29)25-26-27(19)10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3,(H2,22,29)(H,24,28)