tert-butyl 2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C23H24N4O2S/c1-15-9-5-8-12-19(15)27-21(17-13-24-18-11-7-6-10-16(17)18)25-26-22(27)30-14-20(28)29-23(2,3)4/h5-13,25H,14H2,1-4H3/b21-17-