4-bromanyl-6-[4-methyl-3-[2-(1-methylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[4-methyl-3-[2-(1-methylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[4-methyl-3-[2-(1-methylindol-3-yl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[4-methyl-3-[[2-(1-methyl-3-indolyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[4-methyl-3-[2-(1-methylindol-3-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[3-[[2-keto-2-(1-methylindol-3-yl)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)CSC3=NNC(=C4C=C(C=CC4=O)Br)N3C

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)CSC3=NNC(=C4C=C(C=CC4=O)Br)N3C

InChI

InChI=1S/C20H17BrN4O2S/c1-24-10-15(13-5-3-4-6-16(13)24)18(27)11-28-20-23-22-19(25(20)2)14-9-12(21)7-8-17(14)26/h3-10,22H,11H2,1-2H3