3-[6-(2-nitrophenyl)sulfanyl-1,3-dihydrobenzo[de]isoquinolin-2-yl]propan-1-ol

Systemtic Name: 3-[6-(2-nitrophenyl)sulfanyl-1,3-dihydrobenzo[de]isoquinolin-2-yl]propan-1-ol Openeye Name: 3-[6-(2-nitrophenyl)sulfanyl-1,3-dihydrobenzo[de]isoquinolin-2-yl]propan-1-ol CAS Name: 3-[6-[(2-nitrophenyl)thio]-1,3-dihydrobenzo[de]isoquinolin-2-yl]-1-propanol IUPAC Name: 3-[6-(2-nitrophenyl)sulfanyl-1,3-dihydrobenzo[de]isoquinolin-2-yl]propan-1-ol Traditional Name: 3-[6-[(2-nitrophenyl)thio]-1,3-dihydrobenzo[de]isoquinolin-2-yl]propan-1-ol Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C3C(=CC=CC3=C(C=C2)SC4=CC=CC=C4[N+](=O)[O-])CN1CCCO

Isomeric SMILES

C1C2=C3C(=CC=CC3=C(C=C2)SC4=CC=CC=C4[N+](=O)[O-])CN1CCCO

InChI

InChI=1S/C21H20N2O3S/c24-12-4-11-22-13-15-5-3-6-17-19(10-9-16(14-22)21(15)17)27-20-8-2-1-7-18(20)23(25)26/h1-3,5-10,24H,4,11-14H2