6,6-dimethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C16H16N4OS4 MolecularWeight: 408.58444

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NN=C(S3)SC)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NN=C(S3)SC)C4=CC=NN4)C

InChI

InChI=1S/C16H16N4OS4/c1-16(2)6-8-11(10(21)7-16)13(23-12(8)9-4-5-17-18-9)24-15-20-19-14(22-3)25-15/h4-5H,6-7H2,1-3H3,(H,17,18)