ethyl 1-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C20H25N5O2S3 MolecularWeight: 463.6398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H25N5O2S3/c1-3-27-18(26)14-8-10-24(11-9-14)13-25-20(28)23(2)17(22-25)12-29-19-21-15-6-4-5-7-16(15)30-19/h4-7,14H,3,8-13H2,1-2H3