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

Systemtic Name: 4-[2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C17H16N6O2S/c18-15(25)11-6-8-13(9-7-11)20-14(24)10-26-17-22-21-16(23(17)19)12-4-2-1-3-5-12/h1-9H,10,19H2,(H2,18,25)(H,20,24)