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

Systemtic Name: ethyl 6-methoxy-7-methylsulfanyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-6-methoxy-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-methoxy-7-(methylthio)-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-6-methoxy-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-6-methoxy-7-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O3S MolecularWeight: 523.64526

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)CC4=CC=CC=C4)SC)OC)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)SC)OC)CN5C=NC=N5

InChI

InChI=1S/C31H29N3O3S/c1-4-37-31(35)30-25(18-34-20-32-19-33-34)15-24-16-27(36-2)28(38-3)17-26(24)29(30)23-12-8-11-22(14-23)13-21-9-6-5-7-10-21/h5-12,14-17,19-20H,4,13,18H2,1-3H3