ethyl 4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(3-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(3-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S/c1-3-31-23(29)26-14-12-25(13-15-26)17-27-22(32)28(19-9-5-4-6-10-19)21(24-27)18-8-7-11-20(16-18)30-2/h4-11,16H,3,12-15,17H2,1-2H3