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

Systemtic Name: ethyl 3-[2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N4O3S/c1-3-29-21(28)18-10-7-11-19(14-18)23-20(27)15-30-22-25-24-16(2)26(22)13-12-17-8-5-4-6-9-17/h4-11,14H,3,12-13,15H2,1-2H3,(H,23,27)