3-(cyclohexen-1-yl)-4-phenylsulfanyl-isoquinoline

Systemtic Name: 3-(cyclohexen-1-yl)-4-phenylsulfanyl-isoquinoline Openeye Name: 3-(cyclohexen-1-yl)-4-phenylsulfanyl-isoquinoline CAS Name: 3-(1-cyclohexenyl)-4-(phenylthio)isoquinoline IUPAC Name: 3-(cyclohexen-1-yl)-4-phenylsulfanylisoquinoline Traditional Name: 3-(cyclohexen-1-yl)-4-(phenylthio)isoquinoline Formula: C21H19NS MolecularWeight: 317.44726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=C(C3=CC=CC=C3C=N2)SC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)C2=C(C3=CC=CC=C3C=N2)SC4=CC=CC=C4

InChI

InChI=1S/C21H19NS/c1-3-9-16(10-4-1)20-21(23-18-12-5-2-6-13-18)19-14-8-7-11-17(19)15-22-20/h2,5-9,11-15H,1,3-4,10H2