6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(1H-1,2,4-triazol-5-ylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(1H-1,2,4-triazol-5-ylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C15H15N5OS2 MolecularWeight: 345.4425

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC=NN3)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC=NN3)C4=CC=NN4)C

InChI

InChI=1S/C15H15N5OS2/c1-15(2)5-8-11(10(21)6-15)13(23-14-16-7-18-20-14)22-12(8)9-3-4-17-19-9/h3-4,7H,5-6H2,1-2H3,(H,17,19)(H,16,18,20)