N-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-mesityl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=CC(=C2C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=CC(=C2C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C25H24N4O3S/c1-14-8-15(2)24(16(3)9-14)28-17(4)10-20(18(28)5)13-26-27-25(30)23-12-19-11-21(29(31)32)6-7-22(19)33-23/h6-13H,1-5H3,(H,27,30)