(6Z)-6-[4-(4-methoxyphenyl)-3-methylsulfonyl-1H-1,2,4-triazol-5-ylidene]-3-oxidanyl-4-propan-2-yl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[4-(4-methoxyphenyl)-3-methylsulfonyl-1H-1,2,4-triazol-5-ylidene]-3-oxidanyl-4-propan-2-yl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-3-hydroxy-4-isopropyl-6-[4-(4-methoxyphenyl)-3-methylsulfonyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-3-hydroxy-6-[4-(4-methoxyphenyl)-3-methylsulfonyl-1H-1,2,4-triazol-5-ylidene]-4-propan-2-yl-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-3-hydroxy-6-[4-(4-methoxyphenyl)-3-methylsulfonyl-1H-1,2,4-triazol-5-ylidene]-4-propan-2-ylcyclohexa-2,4-dien-1-one Traditional Name: (6Z)-3-hydroxy-4-isopropyl-6-[3-mesyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2NN=C(N2C3=CC=C(C=C3)OC)S(=O)(=O)C)C(=O)C=C1O

Isomeric SMILES

CC(C)C1=C/C(=C\2/NN=C(N2C3=CC=C(C=C3)OC)S(=O)(=O)C)/C(=O)C=C1O

InChI

InChI=1S/C19H21N3O5S/c1-11(2)14-9-15(17(24)10-16(14)23)18-20-21-19(28(4,25)26)22(18)12-5-7-13(27-3)8-6-12/h5-11,20,23H,1-4H3/b18-15+