2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

InChI

InChI=1S/C14H16ClN5OS/c15-11-6-2-1-5-10(11)13-17-18-14(20(13)16)22-9-12(21)19-7-3-4-8-19/h1-2,5-6H,3-4,7-9,16H2