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

Systemtic Name: 1-[2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrolidin-2-one Openeye Name: 1-[2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one CAS Name: 1-[2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one Traditional Name: 1-[2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-pyrrolidone Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-2-9-21-16(12-5-7-13(8-6-12)22(25)26)18-19-17(21)27-11-15(24)20-10-3-4-14(20)23/h2,5-8H,1,3-4,9-11H2