2-azanyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide

Systemtic Name: 2-azanyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide Openeye Name: 2-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide CAS Name: 2-amino-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]butanamide IUPAC Name: 2-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide Traditional Name: 2-amino-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]butyramide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)SC2=NC=NN2)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)SC2=NC=NN2)N

InChI

InChI=1S/C12H15N5OS/c1-2-10(13)11(18)16-8-3-5-9(6-4-8)19-12-14-7-15-17-12/h3-7,10H,2,13H2,1H3,(H,16,18)(H,14,15,17)