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

Systemtic Name: 4-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C14H16N6O2S/c15-12(22)8-3-5-10(6-4-8)17-11(21)7-23-14-19-18-13(20(14)16)9-1-2-9/h3-6,9H,1-2,7,16H2,(H2,15,22)(H,17,21)