ethyl 7-ethoxy-1-(3-ethoxyphenyl)-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-1-(3-ethoxyphenyl)-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-1-(3-ethoxyphenyl)-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-1-(3-ethoxyphenyl)-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-1-(3-ethoxyphenyl)-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-6-(methylthio)-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)SC)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)SC)OCC

InChI

InChI=1S/C27H29N3O4S/c1-5-32-21-10-8-9-18(12-21)25-22-14-23(33-6-2)24(35-4)13-19(22)11-20(15-30-17-28-16-29-30)26(25)27(31)34-7-3/h8-14,16-17H,5-7,15H2,1-4H3