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

Systemtic Name: N-(3-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-pyrrolidin-1-yl-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[3-chloro-2-(1-pyrrolidinyl)phenyl]-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-pyrrolidino-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C19H19ClN6OS MolecularWeight: 414.91176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H19ClN6OS/c20-15-9-6-10-16(18(15)25-11-4-5-12-25)21-17(27)13-28-19-22-23-24-26(19)14-7-2-1-3-8-14/h1-3,6-10H,4-5,11-13H2,(H,21,27)