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

Systemtic Name: methyl (2R)-2-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SC(C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2S[C@H](C)C(=O)OC

InChI

InChI=1S/C21H20N4O2S/c1-13-7-6-8-15(11-13)25-19(17-12-22-18-10-5-4-9-16(17)18)23-24-21(25)28-14(2)20(26)27-3/h4-12,14,23H,1-3H3/t14-/m1/s1