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

Systemtic Name: 2-[[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[[1-(3-chlorophenyl)-5-tetrazolyl]thio]-N-[4-(1-pyrrolidinylmethyl)phenyl]acetamide IUPAC Name: 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[[1-(3-chlorophenyl)tetrazol-5-yl]thio]-N-[4-(pyrrolidinomethyl)phenyl]acetamide Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN6OS/c21-16-4-3-5-18(12-16)27-20(23-24-25-27)29-14-19(28)22-17-8-6-15(7-9-17)13-26-10-1-2-11-26/h3-9,12H,1-2,10-11,13-14H2,(H,22,28)