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

Systemtic Name: methyl 2-[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-ethyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H19N5O3S/c1-3-15-20-21-18(23(15)22-10-6-7-11-22)27-12-16(24)19-14-9-5-4-8-13(14)17(25)26-2/h4-11H,3,12H2,1-2H3,(H,19,24)