4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-(3-pyridyl)quinazoline CAS Name: 4-[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-2-(3-pyridyl)quinazoline Formula: C24H21N7OS MolecularWeight: 455.53484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2CC3=CC=CO3)SC4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2CC3=CC=CO3)SC4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C24H21N7OS/c1-2-10-20-19(9-1)22(27-21(26-20)17-7-5-11-25-15-17)33-24-29-28-23(30-12-3-4-13-30)31(24)16-18-8-6-14-32-18/h1-2,5-11,14-15H,3-4,12-13,16H2