2-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[4-oxo-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetamide CAS Name: 2-[2-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]quinazolin-3-yl]acetamide Formula: C24H25N7O2S MolecularWeight: 475.566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)N5CCCC5

InChI

InChI=1S/C24H25N7O2S/c1-16-8-10-17(11-9-16)31-23(29-12-4-5-13-29)27-28-24(31)34-15-21-26-19-7-3-2-6-18(19)22(33)30(21)14-20(25)32/h2-3,6-11H,4-5,12-15H2,1H3,(H2,25,32)