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

Systemtic Name: 4-[[[3-(3-propan-2-yloxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(3-isopropoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(3-propan-2-yloxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(3-propan-2-yloxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(3-isopropoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3

InChI

InChI=1S/C18H18N4O2S/c1-12(2)24-16-5-3-4-14(10-16)17-20-21-18(25)22(17)19-11-13-6-8-15(23)9-7-13/h3-12,19H,1-2H3,(H,21,25)