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

Systemtic Name: 4-[azanyl-[4-(3-methoxyphenyl)-6-nitro-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-[4-(3-methoxyphenyl)-6-nitro-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[amino-[4-(3-methoxyphenyl)-6-nitro-1-benzothiophen-2-yl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[amino-[4-(3-methoxyphenyl)-6-nitro-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[amino-[4-(3-methoxyphenyl)-6-nitro-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H21N5O3S MolecularWeight: 495.55234

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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=CC(=CC=C5)OC)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C27H21N5O3S/c1-31-16-30-15-25(31)27(29,19-8-6-17(14-28)7-9-19)26-13-23-22(18-4-3-5-21(10-18)35-2)11-20(32(33)34)12-24(23)36-26/h3-13,15-16H,29H2,1-2H3