2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-1-pyrrolidino-propan-1-one Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)N

Isomeric SMILES

CC(C(=O)N1CCCC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C16H20ClN5OS/c1-11(14(23)21-8-4-5-9-21)22-15(18)19-20-16(22)24-10-12-6-2-3-7-13(12)17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,18,19)