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

Systemtic Name: methyl 4-[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5

InChI

InChI=1S/C23H21N5O3S/c1-31-22(30)14-6-8-15(9-7-14)25-20(29)13-32-23-27-26-21(28(23)16-10-11-16)18-12-24-19-5-3-2-4-17(18)19/h2-9,12,16,26H,10-11,13H2,1H3,(H,25,29)/b21-18-