thiophen-2-ylmethyl 5-methyl-7-naphthalen-1-yl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: thiophen-2-ylmethyl 5-methyl-7-naphthalen-1-yl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: 2-thienylmethyl 5-methyl-7-(1-naphthyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(1-naphthalenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 5-methyl-7-naphthalen-1-yl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-(1-naphthyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid 2-thenyl ester Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=NN2)C3=CC=CC4=CC=CC=C43)C(=O)OCC5=CC=CS5

Isomeric SMILES

CC1=C(C(N2C(=N1)N=NN2)C3=CC=CC4=CC=CC=C43)C(=O)OCC5=CC=CS5

InChI

InChI=1S/C21H17N5O2S/c1-13-18(20(27)28-12-15-8-5-11-29-15)19(26-21(22-13)23-24-25-26)17-10-4-7-14-6-2-3-9-16(14)17/h2-11,19H,12H2,1H3,(H,22,23,25)