ethyl 1-[3-(2-hydroxyphenyl)phenyl]-6-methoxy-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-[3-(2-hydroxyphenyl)phenyl]-6-methoxy-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-[3-(2-hydroxyphenyl)phenyl]-6-methoxy-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(2-hydroxyphenyl)phenyl]-6-methoxy-7-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-hydroxyphenyl)phenyl]-6-methoxy-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-[3-(2-hydroxyphenyl)phenyl]-6-methoxy-7-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H27N3O4S MolecularWeight: 525.61808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)SC)OC)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)SC)OC)CN5C=NC=N5

InChI

InChI=1S/C30H27N3O4S/c1-4-37-30(35)29-22(16-33-18-31-17-32-33)13-21-14-26(36-2)27(38-3)15-24(21)28(29)20-9-7-8-19(12-20)23-10-5-6-11-25(23)34/h5-15,17-18,34H,4,16H2,1-3H3