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

Systemtic Name: methyl 2-[[5-indol-3-ylidene-4-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-indol-3-ylidene-4-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-(3-indolylidene)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-indol-3-ylidene-4-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-indol-3-ylidene-4-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H20N4O3S/c1-13(20(26)28-3)29-21-24-23-19(17-12-22-18-7-5-4-6-16(17)18)25(21)14-8-10-15(27-2)11-9-14/h4-13,23H,1-3H3