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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C18H19N5OS/c1-3-9-23-16(12-7-8-12)21-22-18(23)25-10-14-19-15-11(2)5-4-6-13(15)17(24)20-14/h3-6,12H,1,7-10H2,2H3,(H,19,20,24)