3-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C13H12ClN4O2S- MolecularWeight: 323.77798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NCC2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NCC2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C13H13ClN4O2S/c1-8-12(20)16-13(18-17-8)21-7-11(19)15-6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,15,19)(H,16,18,20)/p-1