methyl 4-[5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[(2-methyl-1-naphthyl)methylsulfanyl]tetrazol-1-yl]benzoate CAS Name: 4-[5-[(2-methyl-1-naphthalenyl)methylthio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2-methylnaphthalen-1-yl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-methyl-1-naphthyl)methylthio]tetrazol-1-yl]benzoic acid methyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O2S/c1-14-7-8-15-5-3-4-6-18(15)19(14)13-28-21-22-23-24-25(21)17-11-9-16(10-12-17)20(26)27-2/h3-12H,13H2,1-2H3