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

Systemtic Name: methyl 4-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H15N5O3S/c1-8-16-17-13(18(8)14)22-7-11(19)15-10-5-3-9(4-6-10)12(20)21-2/h3-6H,7,14H2,1-2H3,(H,15,19)