6-[3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2C

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)15-11-9-14(10-12-15)18(26)13-27-20-23-22-19(24(20)4)16-7-5-6-8-17(16)25/h5-12,22H,13H2,1-4H3