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

Systemtic Name: 3-methyl-4-[2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-benzoate CAS Name: 3-methyl-4-[[2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-benzoate Formula: C20H19N4O3S- MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-13-10-15(19(26)27)8-9-16(13)21-18(25)12-28-20-23-22-17(24(20)2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H,26,27)/p-1