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

Systemtic Name: 5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole Openeye Name: 1-isopropyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]tetrazole CAS Name: 5-[(2-methyl-3-nitrophenyl)methylthio]-1-propan-2-yltetrazole IUPAC Name: 5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1-propan-2-yltetrazole Traditional Name: 1-isopropyl-5-[(2-methyl-3-nitro-benzyl)thio]tetrazole Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=NN2C(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=NN2C(C)C

InChI

InChI=1S/C12H15N5O2S/c1-8(2)16-12(13-14-15-16)20-7-10-5-4-6-11(9(10)3)17(18)19/h4-6,8H,7H2,1-3H3