[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC(=S)N2CCCC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC(=S)N2CCCC2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H24N4O2S2/c1-14-15(2)25(16-6-8-17(27-3)9-7-16)20(18(14)12-22)23-19(26)13-29-21(28)24-10-4-5-11-24/h6-9H,4-5,10-11,13H2,1-3H3,(H,23,26)