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

Systemtic Name: ethyl 2-[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C

InChI

InChI=1S/C22H21N5O3S/c1-3-30-21(29)15-9-5-7-11-18(15)24-19(28)13-31-22-26-25-20(27(22)2)16-12-23-17-10-6-4-8-14(16)17/h4-12,25H,3,13H2,1-2H3,(H,24,28)