1-(3,4-dimethoxyphenyl)-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(1-isopropyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[(1-isopropyltetrazol-5-yl)thio]ethanone Formula: C14H18N4O3S MolecularWeight: 322.38272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H18N4O3S/c1-9(2)18-14(15-16-17-18)22-8-11(19)10-5-6-12(20-3)13(7-10)21-4/h5-7,9H,8H2,1-4H3