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

Systemtic Name: 4-phenethyl-3-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-[(1-propyltetrazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-[(1-propyl-5-tetrazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-[(1-propyltetrazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-[(1-propyltetrazol-5-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C15H19N7OS MolecularWeight: 345.42266

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C15H19N7OS/c1-2-9-22-13(16-19-20-22)11-24-15-18-17-14(23)21(15)10-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,23)