4-[azanyl-[4-(1,3-benzodioxol-5-yl)-6-nitro-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[azanyl-[4-(1,3-benzodioxol-5-yl)-6-nitro-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-[4-(1,3-benzodioxol-5-yl)-6-nitro-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[amino-[4-(1,3-benzodioxol-5-yl)-6-nitro-1-benzothiophen-2-yl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[amino-[4-(1,3-benzodioxol-5-yl)-6-nitro-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[amino-[4-(1,3-benzodioxol-5-yl)-6-nitro-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H19N5O4S MolecularWeight: 509.53586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(S3)C=C(C=C4C5=CC6=C(C=C5)OCO6)[N+](=O)[O-])N

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(S3)C=C(C=C4C5=CC6=C(C=C5)OCO6)[N+](=O)[O-])N

InChI

InChI=1S/C27H19N5O4S/c1-31-14-30-13-25(31)27(29,18-5-2-16(12-28)3-6-18)26-11-21-20(9-19(32(33)34)10-24(21)37-26)17-4-7-22-23(8-17)36-15-35-22/h2-11,13-14H,15,29H2,1H3