(3E)-3-(6-methoxy-7-phenylmethoxy-1H-quinolin-4-ylidene)-5-nitro-thiophene-2-thione

Systemtic Name: (3E)-3-(6-methoxy-7-phenylmethoxy-1H-quinolin-4-ylidene)-5-nitro-thiophene-2-thione Openeye Name: (3E)-3-(7-benzyloxy-6-methoxy-1H-quinolin-4-ylidene)-5-nitro-thiophene-2-thione CAS Name: (3E)-3-(6-methoxy-7-phenylmethoxy-1H-quinolin-4-ylidene)-5-nitro-2-thiophenethione IUPAC Name: (3E)-3-(6-methoxy-7-phenylmethoxy-1H-quinolin-4-ylidene)-5-nitrothiophene-2-thione Traditional Name: (3E)-3-(7-benzoxy-6-methoxy-1H-quinolin-4-ylidene)-5-nitro-thiophene-2-thione Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C3C=C(SC3=S)[N+](=O)[O-])C=CN2)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)/C(=C/3\C=C(SC3=S)[N+](=O)[O-])/C=CN2)OCC4=CC=CC=C4

InChI

InChI=1S/C21H16N2O4S2/c1-26-18-9-15-14(16-10-20(23(24)25)29-21(16)28)7-8-22-17(15)11-19(18)27-12-13-5-3-2-4-6-13/h2-11,22H,12H2,1H3/b16-14+