(3-nitrophenyl)-(3-phenylazanyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

Systemtic Name: (3-nitrophenyl)-(3-phenylazanyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone Openeye Name: (3-anilino-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-(3-nitrophenyl)methanone CAS Name: (3-anilino-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-(3-nitrophenyl)methanone IUPAC Name: (3-anilino-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-(3-nitrophenyl)methanone Traditional Name: (3-anilino-4,5,6,7-tetrahydroisobenzothiophen-1-yl)-(3-nitrophenyl)methanone Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(SC(=C2C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(SC(=C2C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S/c24-19(14-7-6-10-16(13-14)23(25)26)20-17-11-4-5-12-18(17)21(27-20)22-15-8-2-1-3-9-15/h1-3,6-10,13,22H,4-5,11-12H2