6,7-dimethoxy-4-(phenylmethylsulfanyl)cinnoline

Systemtic Name: 6,7-dimethoxy-4-(phenylmethylsulfanyl)cinnoline Openeye Name: 4-benzylsulfanyl-6,7-dimethoxy-cinnoline CAS Name: 6,7-dimethoxy-4-(phenylmethylthio)cinnoline IUPAC Name: 4-benzylsulfanyl-6,7-dimethoxycinnoline Traditional Name: 4-(benzylthio)-6,7-dimethoxy-cinnoline Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=N2)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=N2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C17H16N2O2S/c1-20-15-8-13-14(9-16(15)21-2)19-18-10-17(13)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3