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

Systemtic Name: ethyl 4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23N5O2S MolecularWeight: 361.46182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S/c1-3-24-17(23)21-11-9-20(10-12-21)13-22-16(25)19(2)15(18-22)14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3