3-(4-chlorophenyl)-7-(2-oxidanylidenepropylsulfanyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

Systemtic Name: 3-(4-chlorophenyl)-7-(2-oxidanylidenepropylsulfanyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one Openeye Name: 7-acetonylsulfanyl-3-(4-chlorophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one CAS Name: 3-(4-chlorophenyl)-7-(2-oxopropylthio)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one IUPAC Name: 3-(4-chlorophenyl)-7-(2-oxopropylsulfanyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one Traditional Name: 7-(acetonylthio)-3-(4-chlorophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one Formula: C13H9ClN4O2S2 MolecularWeight: 352.81916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN2C(=O)C(=NN=C2S1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)CSC1=NN2C(=O)C(=NN=C2S1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H9ClN4O2S2/c1-7(19)6-21-13-17-18-11(20)10(15-16-12(18)22-13)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3