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

Systemtic Name: (3S)-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: (3S)-3-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3S)-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3S)-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: (3S)-3-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CCOC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1S[C@H]2CCOC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-2-8-18-13(10-3-5-11(6-4-10)19(21)22)16-17-15(18)24-12-7-9-23-14(12)20/h2-6,12H,1,7-9H2/t12-/m0/s1