3-(4-methoxyphenyl)-4-(4-nitrophenyl)sulfanyl-isoquinoline

Systemtic Name: 3-(4-methoxyphenyl)-4-(4-nitrophenyl)sulfanyl-isoquinoline Openeye Name: 3-(4-methoxyphenyl)-4-(4-nitrophenyl)sulfanyl-isoquinoline CAS Name: 3-(4-methoxyphenyl)-4-[(4-nitrophenyl)thio]isoquinoline IUPAC Name: 3-(4-methoxyphenyl)-4-(4-nitrophenyl)sulfanylisoquinoline Traditional Name: 3-(4-methoxyphenyl)-4-[(4-nitrophenyl)thio]isoquinoline Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O3S/c1-27-18-10-6-15(7-11-18)21-22(20-5-3-2-4-16(20)14-23-21)28-19-12-8-17(9-13-19)24(25)26/h2-14H,1H3