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

Systemtic Name: methyl 4-[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H19N5O3S/c1-26-19(16-11-22-17-6-4-3-5-15(16)17)24-25-21(26)30-12-18(27)23-14-9-7-13(8-10-14)20(28)29-2/h3-11,24H,12H2,1-2H3,(H,23,27)