2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[5-(3-nitrophenyl)-2-furyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[5-(3-nitrophenyl)-2-furanyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[5-(3-nitrophenyl)-2-furyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H17N3O4S/c21-19(24)18-15-6-1-2-7-17(15)28-20(18)22-11-14-8-9-16(27-14)12-4-3-5-13(10-12)23(25)26/h3-5,8-11H,1-2,6-7H2,(H2,21,24)