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

Systemtic Name: methyl 4-[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C26H21N5O3S MolecularWeight: 483.54164

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)N2C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=CC=C5

InChI

InChI=1S/C26H21N5O3S/c1-34-25(33)17-11-13-18(14-12-17)28-23(32)16-35-26-30-29-24(31(26)19-7-3-2-4-8-19)21-15-27-22-10-6-5-9-20(21)22/h2-15,29H,16H2,1H3,(H,28,32)/b24-21-