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

Systemtic Name: (2R)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Openeye Name: (2R)-2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclopentanone CAS Name: (2R)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-cyclopentanone IUPAC Name: (2R)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Traditional Name: (2R)-2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]cyclopentanone Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CCCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1S[C@@H]2CCCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c1-2-10-19-15(11-6-8-12(9-7-11)20(22)23)17-18-16(19)24-14-5-3-4-13(14)21/h2,6-9,14H,1,3-5,10H2/t14-/m1/s1