2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C21H28N6OS/c28-19(22-16-5-7-17(8-6-16)25-11-1-2-12-25)15-29-21-24-23-20(26-13-3-4-14-26)27(21)18-9-10-18/h5-8,18H,1-4,9-15H2,(H,22,28)