2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H21N5O2S/c1-4-12-27-20(16-10-13-29-14(16)2)25-26-22(27)30-15(3)21(28)24-19-9-5-8-18-17(19)7-6-11-23-18/h4-11,13,15H,1,12H2,2-3H3,(H,24,28)