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

Systemtic Name: 3-[3-(1-phenyl-1,2,3,4-tetrazol-5-yl)propylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[3-(1-phenyltetrazol-5-yl)propylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[3-(1-phenyl-5-tetrazolyl)propylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[3-(1-phenyltetrazol-5-yl)propylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[3-(1-phenyltetrazol-5-yl)propylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H19N7OS MolecularWeight: 345.42266

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SCCCC2=NN=NN2C3=CC=CC=C3

InChI

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