2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C24H24ClN5OS MolecularWeight: 465.99826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN5OS/c1-5-12-30-21(15-6-8-16(9-7-15)24(2,3)4)28-29-23(30)32-14-20-26-19-13-17(25)10-11-18(19)22(31)27-20/h5-11,13H,1,12,14H2,2-4H3,(H,26,27,31)