2-[[(5Z)-5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[(5Z)-5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[(5Z)-5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[(5Z)-5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[(5Z)-5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[(5Z)-5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1/C(=C/2\C=C(C=CC2=O)Br)/NN=C1SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H15BrN4O2S/c1-22-16(13-9-11(18)7-8-14(13)23)20-21-17(22)25-10-15(24)19-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H,19,24)/b16-13+