S-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl) 4-methoxybenzenecarbothioate

Systemtic Name: S-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl) 4-methoxybenzenecarbothioate Openeye Name: S-[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl] 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl) ester IUPAC Name: S-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl) 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl] ester Formula: C20H15N3O2S2 MolecularWeight: 393.482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H15N3O2S2/c1-25-16-11-9-14(10-12-16)19(24)27-20-22-21-18(17-8-5-13-26-17)23(20)15-6-3-2-4-7-15/h2-13H,1H3