N-[4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide CAS Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]butyramide Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C14H17N5O2S/c1-2-3-12(21)16-10-6-4-9(5-7-10)11(20)8-22-14-17-13(15)18-19-14/h4-7H,2-3,8H2,1H3,(H,16,21)(H3,15,17,18,19)