3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrophenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-phenyl]methanone Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3S2/c1-13-12-27-20(21-13)28-18-7-6-15(10-17(18)23(25)26)19(24)22-9-8-14-4-2-3-5-16(14)11-22/h2-7,10,12H,8-9,11H2,1H3