[7-chloranyl-8-methyl-2,4-bis(oxidanylidene)-3-(phenylmethyl)-1H-quinolin-3-yl] thiocyanate

Systemtic Name: [7-chloranyl-8-methyl-2,4-bis(oxidanylidene)-3-(phenylmethyl)-1H-quinolin-3-yl] thiocyanate Openeye Name: (3-benzyl-7-chloro-8-methyl-2,4-dioxo-1H-quinolin-3-yl) thiocyanate CAS Name: thiocyanic acid [7-chloro-8-methyl-2,4-dioxo-3-(phenylmethyl)-1H-quinolin-3-yl] ester IUPAC Name: (3-benzyl-7-chloro-8-methyl-2,4-dioxo-1H-quinolin-3-yl) thiocyanate Traditional Name: thiocyanic acid (3-benzyl-7-chloro-2,4-diketo-8-methyl-1H-quinolin-3-yl) ester Formula: C18H13ClN2O2S MolecularWeight: 356.82602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1NC(=O)C(C2=O)(CC3=CC=CC=C3)SC#N)Cl

Isomeric SMILES

CC1=C(C=CC2=C1NC(=O)C(C2=O)(CC3=CC=CC=C3)SC#N)Cl

InChI

InChI=1S/C18H13ClN2O2S/c1-11-14(19)8-7-13-15(11)21-17(23)18(16(13)22,24-10-20)9-12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,21,23)