3-methyl-N-[[5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3-methyl-N-[[5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N6O2S/c1-3-11-29-20(13-24-21(30)16-8-6-7-15(2)12-16)27-28-23(29)32-14-19-25-18-10-5-4-9-17(18)22(31)26-19/h3-10,12H,1,11,13-14H2,2H3,(H,24,30)(H,25,26,31)