S-[4-methyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl] 2-(4-butoxyphenyl)quinoline-4-carbothioate

Systemtic Name: S-[4-methyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl] 2-(4-butoxyphenyl)quinoline-4-carbothioate Openeye Name: S-[4-methyl-5-(5-methyl-3-thienyl)-1,2,4-triazol-3-yl] 2-(4-butoxyphenyl)quinoline-4-carbothioate CAS Name: 2-(4-butoxyphenyl)-4-quinolinecarbothioic acid S-[4-methyl-5-(5-methyl-3-thiophenyl)-1,2,4-triazol-3-yl] ester IUPAC Name: S-[4-methyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl] 2-(4-butoxyphenyl)quinoline-4-carbothioate Traditional Name: 2-(4-butoxyphenyl)quinoline-4-carbothioic acid S-[4-methyl-5-(5-methyl-3-thienyl)-1,2,4-triazol-3-yl] ester Formula: C28H26N4O2S2 MolecularWeight: 514.66164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)SC4=NN=C(N4C)C5=CSC(=C5)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)SC4=NN=C(N4C)C5=CSC(=C5)C

InChI

InChI=1S/C28H26N4O2S2/c1-4-5-14-34-21-12-10-19(11-13-21)25-16-23(22-8-6-7-9-24(22)29-25)27(33)36-28-31-30-26(32(28)3)20-15-18(2)35-17-20/h6-13,15-17H,4-5,14H2,1-3H3