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

Systemtic Name: 6,6-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C16H17N5OS2 MolecularWeight: 359.46908

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NN=CN3C)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NN=CN3C)C4=CC=NN4)C

InChI

InChI=1S/C16H17N5OS2/c1-16(2)6-9-12(11(22)7-16)14(24-15-20-18-8-21(15)3)23-13(9)10-4-5-17-19-10/h4-5,8H,6-7H2,1-3H3,(H,17,19)