S-[5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-1H-1,2,4-triazol-3-yl] 2-phenylethanethioate

Systemtic Name: S-[5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-1H-1,2,4-triazol-3-yl] 2-phenylethanethioate Openeye Name: S-[5-[3-(p-tolylmethoxy)-2-thienyl]-1H-1,2,4-triazol-3-yl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-1H-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-[3-[(4-methylphenyl)methoxy]thiophen-2-yl]-1H-1,2,4-triazol-3-yl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[5-[3-(4-methylbenzyl)oxy-2-thienyl]-1H-1,2,4-triazol-3-yl] ester Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(SC=C2)C3=NC(=NN3)SC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(SC=C2)C3=NC(=NN3)SC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S2/c1-15-7-9-17(10-8-15)14-27-18-11-12-28-20(18)21-23-22(25-24-21)29-19(26)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,23,24,25)