6-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-allyl-6-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-prop-2-enyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-prop-2-enylcyclohexa-2,4-dien-1-one Traditional Name: 2-allyl-6-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC=C(C3=O)CC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC=C(C3=O)CC=C

InChI

InChI=1S/C22H24N4OS/c1-5-7-15-8-6-9-17(19(15)27)14-23-26-20(24-25-21(26)28)16-10-12-18(13-11-16)22(2,3)4/h5-6,8-14,23H,1,7H2,2-4H3,(H,25,28)