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

Systemtic Name: 7-(2-oxidanylidenepropylsulfanyl)-3-(phenylmethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one Openeye Name: 7-acetonylsulfanyl-3-benzyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one CAS Name: 7-(2-oxopropylthio)-3-(phenylmethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one IUPAC Name: 3-benzyl-7-(2-oxopropylsulfanyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one Traditional Name: 7-(acetonylthio)-3-benzyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one Formula: C14H12N4O2S2 MolecularWeight: 332.40068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN2C(=O)C(=NN=C2S1)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NN2C(=O)C(=NN=C2S1)CC3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S2/c1-9(19)8-21-14-17-18-12(20)11(15-16-13(18)22-14)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3