2,5-dimethyl-4-nitro-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-nitro-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-4-nitro-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Formula: C19H16N6O3S2 MolecularWeight: 440.49874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)C

InChI

InChI=1S/C19H16N6O3S2/c1-11-16(25(27)28)17(24(2)23-11)18(26)21-13-5-6-14-15(8-13)30-19(22-14)29-10-12-4-3-7-20-9-12/h3-9H,10H2,1-2H3,(H,21,26)