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

Systemtic Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-20(2,3)15-8-6-14(7-9-15)18-22-23-19(27)24(18)21-12-13-5-10-16(25)17(11-13)26-4/h5-12,21H,1-4H3,(H,23,27)