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

Systemtic Name: 1-butyl-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrazole Openeye Name: 1-butyl-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole CAS Name: 1-butyl-5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]tetrazole IUPAC Name: 1-butyl-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole Traditional Name: 1-butyl-5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]tetrazole Formula: C14H17N7S MolecularWeight: 315.39668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H17N7S/c1-2-3-9-21-12(16-19-20-21)10-22-14-15-13(17-18-14)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17,18)