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

Systemtic Name: 4-[azanyl-[4-(3-chlorophenyl)-6-nitro-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-[4-(3-chlorophenyl)-6-nitro-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[amino-[4-(3-chlorophenyl)-6-nitro-1-benzothiophen-2-yl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[amino-[4-(3-chlorophenyl)-6-nitro-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[amino-[4-(3-chlorophenyl)-6-nitro-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C26H18ClN5O2S MolecularWeight: 499.97142

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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)Cl)[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)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C26H18ClN5O2S/c1-31-15-30-14-24(31)26(29,18-7-5-16(13-28)6-8-18)25-12-22-21(17-3-2-4-19(27)9-17)10-20(32(33)34)11-23(22)35-25/h2-12,14-15H,29H2,1H3