N-(4-phenylmethoxyphenyl)-2-[(1-pyridin-3-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-2-[(1-pyridin-3-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[1-(3-pyridyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-(4-phenylmethoxyphenyl)-2-[[1-(3-pyridinyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-(4-phenylmethoxyphenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(4-benzoxyphenyl)-2-[[1-(3-pyridyl)tetrazol-5-yl]thio]acetamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C4=CN=CC=C4

InChI

InChI=1S/C21H18N6O2S/c28-20(15-30-21-24-25-26-27(21)18-7-4-12-22-13-18)23-17-8-10-19(11-9-17)29-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,23,28)