N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-nitro-1H-indazole-3-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-nitro-1H-indazole-3-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-nitro-1H-indazole-3-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-nitro-1H-indazole-3-carboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-nitro-1H-indazole-3-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-nitro-1H-indazole-3-carboxamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=NNC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=NNC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O3S/c1-29-9-8-16(18-20-14-4-2-3-5-15(14)21-18)22-19(26)17-12-10-11(25(27)28)6-7-13(12)23-24-17/h2-7,10,16H,8-9H2,1H3,(H,20,21)(H,22,26)(H,23,24)