2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C15H17ClN4OS MolecularWeight: 336.83968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H17ClN4OS/c1-11(14(21)19-7-2-3-8-19)22-15-18-17-10-20(15)13-6-4-5-12(16)9-13/h4-6,9-11H,2-3,7-8H2,1H3