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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

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