(3-azanyl-5-butylsulfanyl-1,2,4-triazol-4-yl)-pyridin-4-yl-methanone

Systemtic Name: (3-azanyl-5-butylsulfanyl-1,2,4-triazol-4-yl)-pyridin-4-yl-methanone Openeye Name: (3-amino-5-butylsulfanyl-1,2,4-triazol-4-yl)-(4-pyridyl)methanone CAS Name: [3-amino-5-(butylthio)-1,2,4-triazol-4-yl]-pyridin-4-ylmethanone IUPAC Name: (3-amino-5-butylsulfanyl-1,2,4-triazol-4-yl)-pyridin-4-ylmethanone Traditional Name: [3-amino-5-(butylthio)-1,2,4-triazol-4-yl]-(4-pyridyl)methanone Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C(=O)C2=CC=NC=C2)N

Isomeric SMILES

CCCCSC1=NN=C(N1C(=O)C2=CC=NC=C2)N

InChI

InChI=1S/C12H15N5OS/c1-2-3-8-19-12-16-15-11(13)17(12)10(18)9-4-6-14-7-5-9/h4-7H,2-3,8H2,1H3,(H2,13,15)