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

Systemtic Name: 2-diethylaminoethyl 4-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C24H29N5O3S/c1-4-28(5-2)15-16-32-23(31)19-11-13-20(14-12-19)25-22(30)17-33-24-27-26-18(3)29(24)21-9-7-6-8-10-21/h6-14H,4-5,15-17H2,1-3H3,(H,25,30)