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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=NN=NN2C3=CC=CC=C3

InChI

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