N-[[1-(3-chloranyl-4-methyl-phenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[1-(3-chloranyl-4-methyl-phenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(3-chloro-4-methyl-phenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(3-chloro-4-methylphenyl)-2-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(3-chloro-4-methyl-phenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H15ClN4O3S MolecularWeight: 438.8868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O3S/c1-13-4-5-15(11-18(13)22)25-8-2-3-17(25)12-23-24-21(27)20-10-14-9-16(26(28)29)6-7-19(14)30-20/h2-12H,1H3,(H,24,27)