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

Systemtic Name: methyl 3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C)C

InChI

InChI=1S/C15H18N4O3S/c1-9-5-6-11(14(21)22-4)7-12(9)16-13(20)8-23-15-18-17-10(2)19(15)3/h5-7H,8H2,1-4H3,(H,16,20)