4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H18N6O4S MolecularWeight: 426.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N6O4S/c1-11-7-12(2)24(23-11)17-6-4-14(9-21-17)22-18(26)10-30-16-5-3-13(19(20)27)8-15(16)25(28)29/h3-9H,10H2,1-2H3,(H2,20,27)(H,22,26)