2-[[5-(3,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-quinazolin-4-one

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-quinazolin-4-one CAS Name: 2-[[[5-(3,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4aH-quinazolin-4-one IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4aH-quinazolin-4-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC(=O)C4C=CC=CC4=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC3=NC(=O)C4C=CC=CC4=N3)C

InChI

InChI=1S/C22H21N5OS/c1-4-11-27-20(16-10-9-14(2)15(3)12-16)25-26-22(27)29-13-19-23-18-8-6-5-7-17(18)21(28)24-19/h4-10,12,17H,1,11,13H2,2-3H3