2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H27N5OS/c1-6-14-30-22(17-10-12-18(13-11-17)25(3,4)5)28-29-24(30)32-15-20-26-21-16(2)8-7-9-19(21)23(31)27-20/h6-13H,1,14-15H2,2-5H3,(H,26,27,31)