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

Systemtic Name: 4-[2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C18H17BrN6O2S MolecularWeight: 461.33558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

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