N-[[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-allyl-5-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-(3-bromoanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-allyl-5-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CNC(=O)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C19H18BrN5O3S/c1-2-8-25-16(11-21-18(27)15-7-4-9-28-15)23-24-19(25)29-12-17(26)22-14-6-3-5-13(20)10-14/h2-7,9-10H,1,8,11-12H2,(H,21,27)(H,22,26)