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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=NN=NN2C3=CC=CC=C3

InChI

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