1-[(4-nitrophenyl)methyl]-5-phenylsulfanyl-1,2,3,4-tetrazole

Systemtic Name: 1-[(4-nitrophenyl)methyl]-5-phenylsulfanyl-1,2,3,4-tetrazole Openeye Name: 1-[(4-nitrophenyl)methyl]-5-phenylsulfanyl-tetrazole CAS Name: 1-[(4-nitrophenyl)methyl]-5-(phenylthio)tetrazole IUPAC Name: 1-[(4-nitrophenyl)methyl]-5-phenylsulfanyltetrazole Traditional Name: 1-(4-nitrobenzyl)-5-(phenylthio)tetrazole Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NN=NN2CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=NN=NN2CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O2S/c20-19(21)12-8-6-11(7-9-12)10-18-14(15-16-17-18)22-13-4-2-1-3-5-13/h1-9H,10H2