5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazole

Systemtic Name: 5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazole Openeye Name: 5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(2-thienylmethyl)tetrazole CAS Name: 5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1-(thiophen-2-ylmethyl)tetrazole IUPAC Name: 5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1-(thiophen-2-ylmethyl)tetrazole Traditional Name: 5-[(4-mesyl-2-nitro-phenyl)thio]-1-(2-thenyl)tetrazole Formula: C13H11N5O4S3 MolecularWeight: 397.45254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O4S3/c1-25(21,22)10-4-5-12(11(7-10)18(19)20)24-13-14-15-16-17(13)8-9-3-2-6-23-9/h2-7H,8H2,1H3