4-butyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(1-phenyl-5-tetrazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(1-phenyltetrazol-5-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C14H17N7OS MolecularWeight: 331.39608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H17N7OS/c1-2-3-9-20-13(22)16-17-14(20)23-10-12-15-18-19-21(12)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,16,22)