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

Systemtic Name: 4-bromanyl-6-[4-methyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[4-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[4-methyl-3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[4-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22BrN5O2S/c1-25-20(17-13-15(22)7-8-18(17)28)23-24-21(25)30-14-19(29)27-11-9-26(10-12-27)16-5-3-2-4-6-16/h2-8,13,23H,9-12,14H2,1H3