N-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[[5-(p-tolylsulfanyl)-2-furyl]methyleneamino]benzothiophene-2-carboxamide CAS Name: N-[[5-[(4-methylphenyl)thio]-2-furanyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[[5-(p-tolylthio)-2-furyl]methyleneamino]benzothiophene-2-carboxamide Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S2/c1-13-2-6-17(7-3-13)29-20-9-5-16(28-20)12-22-23-21(25)19-11-14-10-15(24(26)27)4-8-18(14)30-19/h2-12H,1H3,(H,23,25)