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

Systemtic Name: 6,6-dimethyl-3-[(4-methyl-3H-1,2,4-triazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-[(4-methyl-3H-1,2,4-triazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-[(4-methyl-3H-1,2,4-triazol-2-yl)thio]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-[(4-methyl-3H-1,2,4-triazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-[(4-methyl-3H-1,2,4-triazol-2-yl)thio]-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C16H19N5OS2 MolecularWeight: 361.48496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SN3CN(C=N3)C)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SN3CN(C=N3)C)C4=CC=NN4)C

InChI

InChI=1S/C16H19N5OS2/c1-16(2)6-10-13(12(22)7-16)15(24-21-9-20(3)8-18-21)23-14(10)11-4-5-17-19-11/h4-5,8H,6-7,9H2,1-3H3,(H,17,19)