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

Systemtic Name: ethyl 7-methylsulfanyl-1-(3-methylsulfanylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-methylsulfanyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-(methylthio)-1-[3-(methylthio)phenyl]-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-methylsulfanyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-(methylthio)-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O2S2 MolecularWeight: 539.71086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O2S2/c1-4-36-31(35)30-25(18-34-20-32-19-33-34)15-23-14-24(13-21-9-6-5-7-10-21)28(38-3)17-27(23)29(30)22-11-8-12-26(16-22)37-2/h5-12,14-17,19-20H,4,13,18H2,1-3H3