ethyl 1-(3-hydroxyphenyl)-7-methylsulfanyl-6-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-(3-hydroxyphenyl)-7-methylsulfanyl-6-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-hydroxyphenyl)-6-isopropylsulfonyl-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-hydroxyphenyl)-7-(methylthio)-6-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-hydroxyphenyl)-7-methylsulfanyl-6-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-hydroxyphenyl)-6-isopropylsulfonyl-7-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C26H27N3O5S2 MolecularWeight: 525.63968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)O)SC)S(=O)(=O)C(C)C)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)O)SC)S(=O)(=O)C(C)C)CN4C=NC=N4

InChI

InChI=1S/C26H27N3O5S2/c1-5-34-26(31)25-19(13-29-15-27-14-28-29)9-18-11-23(36(32,33)16(2)3)22(35-4)12-21(18)24(25)17-7-6-8-20(30)10-17/h6-12,14-16,30H,5,13H2,1-4H3