ethyl 3-(3-methoxyphenyl)sulfinyl-6-(1,2,4-triazol-1-ylmethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(3-methoxyphenyl)sulfinyl-6-(1,2,4-triazol-1-ylmethyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(3-methoxyphenyl)sulfinyl-6-(1,2,4-triazol-1-ylmethyl)benzothiophene-2-carboxylate CAS Name: 3-(3-methoxyphenyl)sulfinyl-6-(1,2,4-triazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-methoxyphenyl)sulfinyl-6-(1,2,4-triazol-1-ylmethyl)-1-benzothiophene-2-carboxylate Traditional Name: 3-(3-methoxyphenyl)sulfinyl-6-(1,2,4-triazol-1-ylmethyl)benzothiophene-2-carboxylic acid ethyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=NC=N3)S(=O)C4=CC=CC(=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=NC=N3)S(=O)C4=CC=CC(=C4)OC

InChI

InChI=1S/C21H19N3O4S2/c1-3-28-21(25)19-20(30(26)16-6-4-5-15(10-16)27-2)17-8-7-14(9-18(17)29-19)11-24-13-22-12-23-24/h4-10,12-13H,3,11H2,1-2H3