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

Systemtic Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-phenethyl-quinazolin-4-one Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

InChI

InChI=1S/C23H23N5OS/c1-16-25-26-23(28(16)18-11-12-18)30-15-21-24-20-10-6-5-9-19(20)22(29)27(21)14-13-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3