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

Systemtic Name: 2-[[2-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenyl-acetamide CAS Name: 2-[[2-(3-acetamidophenyl)-5-tetrazolyl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylacetamide Traditional Name: 2-[[2-(3-acetamidophenyl)tetrazol-5-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C18H18N6O2S/c1-13(25)19-14-7-6-10-16(11-14)24-21-18(20-22-24)27-12-17(26)23(2)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,25)