4-[azanyl-(3-methyl-3H-indazol-4-yl)-(6-nitro-4-pyridin-3-yl-1-benzothiophen-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[azanyl-(3-methyl-3H-indazol-4-yl)-(6-nitro-4-pyridin-3-yl-1-benzothiophen-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-(3-methyl-3H-indazol-4-yl)-[6-nitro-4-(3-pyridyl)benzothiophen-2-yl]methyl]benzonitrile CAS Name: 4-[amino-(3-methyl-3H-indazol-4-yl)-[6-nitro-4-(3-pyridinyl)-1-benzothiophen-2-yl]methyl]benzonitrile IUPAC Name: 4-[amino-(3-methyl-3H-indazol-4-yl)-(6-nitro-4-pyridin-3-yl-1-benzothiophen-2-yl)methyl]benzonitrile Traditional Name: 4-[amino-(3-methyl-3H-indazol-4-yl)-[6-nitro-4-(3-pyridyl)benzothiophen-2-yl]methyl]benzonitrile Formula: C29H20N6O2S MolecularWeight: 516.5731

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC=C2N=N1)C(C3=CC=C(C=C3)C#N)(C4=CC5=C(S4)C=C(C=C5C6=CN=CC=C6)[N+](=O)[O-])N

Isomeric SMILES

CC1C2=C(C=CC=C2N=N1)C(C3=CC=C(C=C3)C#N)(C4=CC5=C(S4)C=C(C=C5C6=CN=CC=C6)[N+](=O)[O-])N

InChI

InChI=1S/C29H20N6O2S/c1-17-28-24(5-2-6-25(28)34-33-17)29(31,20-9-7-18(15-30)8-10-20)27-14-23-22(19-4-3-11-32-16-19)12-21(35(36)37)13-26(23)38-27/h2-14,16-17H,31H2,1H3