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

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H28N6O2S/c28-19(23-20(29)22-16-8-4-5-9-16)15-30-21-25-24-18(14-26-12-6-7-13-26)27(21)17-10-2-1-3-11-17/h1-3,10-11,16H,4-9,12-15H2,(H2,22,23,28,29)