(4Z)-4-[3-[4-(2-hydroxyethylsulfanyl)-1H-benzimidazol-2-yl]-1,2-dihydroindazol-6-ylidene]-3-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[3-[4-(2-hydroxyethylsulfanyl)-1H-benzimidazol-2-yl]-1,2-dihydroindazol-6-ylidene]-3-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[3-[4-(2-hydroxyethylsulfanyl)-1H-benzimidazol-2-yl]-1,2-dihydroindazol-6-ylidene]-3-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[3-[4-(2-hydroxyethylthio)-1H-benzimidazol-2-yl]-1,2-dihydroindazol-6-ylidene]-3-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[3-[4-(2-hydroxyethylsulfanyl)-1H-benzimidazol-2-yl]-1,2-dihydroindazol-6-ylidene]-3-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[3-[4-(2-hydroxyethylthio)-1H-benzimidazol-2-yl]-1,2-dihydroindazol-6-ylidene]-3-methoxy-cyclohexa-2,5-dien-1-one Formula: C23H20N4O3S MolecularWeight: 432.4949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C=CC1=C2C=CC3=C(NNC3=C2)C4=NC5=C(N4)C=CC=C5SCCO

Isomeric SMILES

COC\1=CC(=O)C=C/C1=C/2\C=CC3=C(NNC3=C2)C4=NC5=C(N4)C=CC=C5SCCO

InChI

InChI=1S/C23H20N4O3S/c1-30-19-12-14(29)6-8-15(19)13-5-7-16-18(11-13)26-27-21(16)23-24-17-3-2-4-20(22(17)25-23)31-10-9-28/h2-8,11-12,26-28H,9-10H2,1H3,(H,24,25)/b15-13-