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

Systemtic Name: 1-phenyl-5-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrazole Openeye Name: 5-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyl-tetrazole CAS Name: 1-phenyl-5-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]tetrazole IUPAC Name: 1-phenyl-5-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole Traditional Name: 5-[[(4-isopropyl-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)N1C=NN=C1SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=NN=NN2C3=CC=CC=C3

InChI

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