4-[4-(furan-2-ylmethyl)-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(furan-2-ylmethyl)-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(2-furylmethyl)-3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(2-furanylmethyl)-3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(furan-2-ylmethyl)-3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(2-furfuryl)-3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C27H20N4O3S2 MolecularWeight: 512.6027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NNC(=C5C=CC(=O)C=C5)N4CC6=CC=CO6

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NNC(=C5C=CC(=O)C=C5)N4CC6=CC=CO6

InChI

InChI=1S/C27H20N4O3S2/c32-19-13-11-18(12-14-19)26-28-29-27(30(26)16-20-6-5-15-34-20)35-17-25(33)31-21-7-1-3-9-23(21)36-24-10-4-2-8-22(24)31/h1-15,28H,16-17H2