5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-1,2,3,4-tetrazole Openeye Name: 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-tetrazole CAS Name: 5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-propyltetrazole IUPAC Name: 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyltetrazole Traditional Name: 5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-tetrazole Formula: C13H15N7S MolecularWeight: 301.3701

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H15N7S/c1-2-8-20-11(15-18-19-20)9-21-13-14-12(16-17-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17)