2-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: 2-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopropyl-2-phenyl-acetamide CAS Name: 2-[[1-(3-acetamidophenyl)-5-tetrazolyl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopropyl-2-phenylacetamide Traditional Name: 2-[[1-(3-acetamidophenyl)tetrazol-5-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H20N6O2S/c1-13(27)21-16-8-5-9-17(12-16)26-20(23-24-25-26)29-18(14-6-3-2-4-7-14)19(28)22-15-10-11-15/h2-9,12,15,18H,10-11H2,1H3,(H,21,27)(H,22,28)