2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C21H20Cl2N4OS MolecularWeight: 447.3807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H20Cl2N4OS/c1-14(20(28)26-11-5-6-12-26)29-21-25-24-19(17-10-9-15(22)13-18(17)23)27(21)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3