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

Systemtic Name: ethyl 7-iodanyl-1-(3-methylsulfanylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-iodo-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-iodo-1-[3-(methylthio)phenyl]-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-iodo-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-iodo-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H26IN3O2S MolecularWeight: 619.51581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26IN3O2S/c1-3-36-30(35)29-24(17-34-19-32-18-33-34)14-22-13-23(12-20-8-5-4-6-9-20)27(31)16-26(22)28(29)21-10-7-11-25(15-21)37-2/h4-11,13-16,18-19H,3,12,17H2,1-2H3