2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydro-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=C3C=C(C=CC3=O)Br)NN2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=C3C=C(C=CC3=O)Br)NN2

InChI

InChI=1S/C18H17BrN4O2S/c19-13-6-7-15(24)14(10-13)17-21-18(23-22-17)26-11-16(25)20-9-8-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,20,25)(H,21,23)