2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclopentanone CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-cyclopentanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]cyclopentanone Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CCCC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SC2CCCC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN3OS/c1-2-10-20-15(11-6-8-12(17)9-7-11)18-19-16(20)22-14-5-3-4-13(14)21/h2,6-9,14H,1,3-5,10H2