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

Systemtic Name: [2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic 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] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C(=C(N1C2=CC=C(C=C2)OC)C)C)C#N

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C(=C(N1C2=CC=C(C=C2)OC)C)C)C#N

InChI

InChI=1S/C21H26N4O2S2/c1-6-24(7-2)21(28)29-13-19(26)23-20-18(12-22)14(3)15(4)25(20)16-8-10-17(27-5)11-9-16/h8-11H,6-7,13H2,1-5H3,(H,23,26)