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

Systemtic Name: 4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N,N-dimethyl-benzamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H16N6O2S/c1-19(2)11(21)8-3-5-9(6-4-8)15-10(20)7-22-13-16-12(14)17-18-13/h3-6H,7H2,1-2H3,(H,15,20)(H3,14,16,17,18)