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

Systemtic Name: 1-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one Openeye Name: 1-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one CAS Name: 1-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxopropyl]-2-imidazolidinone IUPAC Name: 1-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one Traditional Name: 1-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]propanoyl]-2-imidazolidinone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC1=O)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCNC1=O)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H27N5O2S/c1-6-12-25-17(15-7-9-16(10-8-15)21(3,4)5)23-24-20(25)29-14(2)18(27)26-13-11-22-19(26)28/h6-10,14H,1,11-13H2,2-5H3,(H,22,28)