ethyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C12H19N5O3S MolecularWeight: 313.37596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=CN2C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=CN2C

InChI

InChI=1S/C12H19N5O3S/c1-3-20-12(19)17-6-4-16(5-7-17)10(18)8-21-11-14-13-9-15(11)2/h9H,3-8H2,1-2H3