2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C17H18Cl2N4OS MolecularWeight: 397.32202

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H18Cl2N4OS/c1-2-7-23-16(13-6-5-12(18)10-14(13)19)20-21-17(23)25-11-15(24)22-8-3-4-9-22/h2,5-6,10H,1,3-4,7-9,11H2