4-[2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-methyl-benzamide Formula: C18H17BrN6O2S MolecularWeight: 461.33558

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H17BrN6O2S/c1-21-17(27)11-6-8-12(9-7-11)22-15(26)10-28-18-24-23-16(25(18)20)13-4-2-3-5-14(13)19/h2-9H,10,20H2,1H3,(H,21,27)(H,22,26)