(2S)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(isopropylcarbamoyl)propionamide Formula: C13H23N5O3S MolecularWeight: 329.41842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC(=O)NC(C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1S[C@@H](C)C(=O)NC(=O)NC(C)C

InChI

InChI=1S/C13H23N5O3S/c1-5-6-7-18-12(21)16-17-13(18)22-9(4)10(19)15-11(20)14-8(2)3/h8-9H,5-7H2,1-4H3,(H,16,21)(H2,14,15,19,20)/t9-/m0/s1