2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)propanamide

Systemtic Name: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)propanamide Openeye Name: 2-[[5-(3-amino-3-oxo-propyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)propanamide CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-chlorophenyl)propanamide IUPAC Name: 2-[[5-(3-amino-3-oxopropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)propanamide Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]-N-(2-chlorophenyl)propionamide Formula: C19H24ClN5O3S MolecularWeight: 437.94356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)SC2=NN=C(N2CC3CCCO3)CCC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Cl)SC2=NN=C(N2CC3CCCO3)CCC(=O)N

InChI

InChI=1S/C19H24ClN5O3S/c1-12(18(27)22-15-7-3-2-6-14(15)20)29-19-24-23-17(9-8-16(21)26)25(19)11-13-5-4-10-28-13/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H2,21,26)(H,22,27)