3-[4-(2-methylpropyl)-5-(2-oxidanylideneazepan-3-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(2-methylpropyl)-5-(2-oxidanylideneazepan-3-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-(2-oxoazepan-3-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-5-[(2-oxo-3-azepanyl)thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-(2-oxoazepan-3-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(2-ketoazepan-3-yl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C15H25N5O2S MolecularWeight: 339.4563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC2CCCCNC2=O)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SC2CCCCNC2=O)CCC(=O)N

InChI

InChI=1S/C15H25N5O2S/c1-10(2)9-20-13(7-6-12(16)21)18-19-15(20)23-11-5-3-4-8-17-14(11)22/h10-11H,3-9H2,1-2H3,(H2,16,21)(H,17,22)