3-[4-(2-methylpropyl)-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(2-methylpropyl)-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-5-[(3-methyl-2-quinoxalinyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(3-methylquinoxalin-2-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CC(C)C)CCC(=O)N

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CC(C)C)CCC(=O)N

InChI

InChI=1S/C19H24N6OS/c1-12(2)10-25-18(9-8-17(20)26)23-24-19(25)27-11-16-13(3)21-14-6-4-5-7-15(14)22-16/h4-7,12H,8-11H2,1-3H3,(H2,20,26)