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

Systemtic Name: 1-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrolidin-2-one Openeye Name: 1-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one CAS Name: 1-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one Traditional Name: 1-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-pyrrolidone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)N3CCCC3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)N3CCCC3=O

InChI

InChI=1S/C21H26N4O2S/c1-5-12-25-19(15-8-10-16(11-9-15)21(2,3)4)22-23-20(25)28-14-18(27)24-13-6-7-17(24)26/h5,8-11H,1,6-7,12-14H2,2-4H3