S-[3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[1-(1-benzotriazolylmethyl)-4-pyrazolyl]amino]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-3-keto-2-methyl-propyl] ester Formula: C16H18N6O2S MolecularWeight: 358.41812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H18N6O2S/c1-11(9-25-12(2)23)16(24)18-13-7-17-21(8-13)10-22-15-6-4-3-5-14(15)19-20-22/h3-8,11H,9-10H2,1-2H3,(H,18,24)