4-[bis[5-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[bis[5-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[bis[5-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[bis[5-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[bis[5-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[bis[5-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]methylene]cyclohexa-2,5-dien-1-one Formula: C29H18N4OS2 MolecularWeight: 502.60942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(N3)C(=C4C=CC(=O)C=C4)C5=CC=C(N5)C6=NC7=CC=CC=C7S6

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(N3)C(=C4C=CC(=O)C=C4)C5=CC=C(N5)C6=NC7=CC=CC=C7S6

InChI

InChI=1S/C29H18N4OS2/c34-18-11-9-17(10-12-18)27(21-13-15-23(30-21)28-32-19-5-1-3-7-25(19)35-28)22-14-16-24(31-22)29-33-20-6-2-4-8-26(20)36-29/h1-16,30-31H