3-(cyclohexen-1-yl)-4-(4-nitrophenyl)sulfanyl-isoquinoline

Systemtic Name: 3-(cyclohexen-1-yl)-4-(4-nitrophenyl)sulfanyl-isoquinoline Openeye Name: 3-(cyclohexen-1-yl)-4-(4-nitrophenyl)sulfanyl-isoquinoline CAS Name: 3-(1-cyclohexenyl)-4-[(4-nitrophenyl)thio]isoquinoline IUPAC Name: 3-(cyclohexen-1-yl)-4-(4-nitrophenyl)sulfanylisoquinoline Traditional Name: 3-(cyclohexen-1-yl)-4-[(4-nitrophenyl)thio]isoquinoline Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=C(C3=CC=CC=C3C=N2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)C2=C(C3=CC=CC=C3C=N2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O2S/c24-23(25)17-10-12-18(13-11-17)26-21-19-9-5-4-8-16(19)14-22-20(21)15-6-2-1-3-7-15/h4-6,8-14H,1-3,7H2