1-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]tetrazole CAS Name: 1-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylthio]tetrazole IUPAC Name: 1-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]tetrazole Traditional Name: 1-(2,3-dimethylphenyl)-5-[(4-nitrobenzyl)thio]tetrazole Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N5O2S/c1-11-4-3-5-15(12(11)2)20-16(17-18-19-20)24-10-13-6-8-14(9-7-13)21(22)23/h3-9H,10H2,1-2H3