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

Systemtic Name: 4-bromanyl-6-[3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[3-(2-morpholino-2-oxo-ethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[3-[(2-keto-2-morpholino-ethyl)thio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NNC(=C3C=C(C=CC3=O)Br)N2C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NNC(=C3C=C(C=CC3=O)Br)N2C4=CC=CC=C4

InChI

InChI=1S/C20H19BrN4O3S/c21-14-6-7-17(26)16(12-14)19-22-23-20(25(19)15-4-2-1-3-5-15)29-13-18(27)24-8-10-28-11-9-24/h1-7,12,22H,8-11,13H2