2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N5OS/c1-13-6-5-9-16-18(13)22-17(23-20(16)27)12-28-21-24-19(14-10-11-14)26(25-21)15-7-3-2-4-8-15/h2-9,14H,10-12H2,1H3,(H,22,23,27)