[4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=C(C=C3)SC#N)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=C(C=C3)SC#N)C

InChI

InChI=1S/C21H19N3OS2/c1-13-5-4-6-17-14(2)10-20(24-21(13)17)26-11-19(25)23-18-8-7-16(27-12-22)9-15(18)3/h4-10H,11H2,1-3H3,(H,23,25)