8-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N5OS/c1-12-6-5-9-14-16(12)20-15(21-17(14)24)10-25-18-19-11-23(22-18)13-7-3-2-4-8-13/h2-9,11H,10H2,1H3,(H,20,21,24)