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

Systemtic Name: N-[4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]propanamide CAS Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]propionamide Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2S/c1-2-11(20)15-9-5-3-8(4-6-9)10(19)7-21-13-16-12(14)17-18-13/h3-6H,2,7H2,1H3,(H,15,20)(H3,14,16,17,18)