2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H13BrN4O2S MolecularWeight: 369.23692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)N

Isomeric SMILES

C=CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)N

InChI

InChI=1S/C13H13BrN4O2S/c1-2-5-18-12(9-6-8(14)3-4-10(9)19)16-17-13(18)21-7-11(15)20/h2-4,6,16H,1,5,7H2,(H2,15,20)