5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1-(phenylmethyl)-1,2,3,4-tetrazole

Systemtic Name: 5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1-(phenylmethyl)-1,2,3,4-tetrazole Openeye Name: 1-benzyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]tetrazole CAS Name: 5-[(2-methyl-3-nitrophenyl)methylthio]-1-(phenylmethyl)tetrazole IUPAC Name: 1-benzyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]tetrazole Traditional Name: 1-benzyl-5-[(2-methyl-3-nitro-benzyl)thio]tetrazole Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=NN2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=NN2CC3=CC=CC=C3

InChI

InChI=1S/C16H15N5O2S/c1-12-14(8-5-9-15(12)21(22)23)11-24-16-17-18-19-20(16)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3