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

Systemtic Name: ethyl 4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2S/c1-2-23-16(22)20-10-8-19(9-11-20)12-21-15(24)17-14(18-21)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,18,24)