5-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-1-phenyl-tetrazole CAS Name: 5-[[2-nitro-5-(1-pyrrolidinyl)phenyl]thio]-1-phenyltetrazole IUPAC Name: 5-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanyl-1-phenyltetrazole Traditional Name: 5-[(2-nitro-5-pyrrolidino-phenyl)thio]-1-phenyl-tetrazole Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H16N6O2S/c24-23(25)15-9-8-14(21-10-4-5-11-21)12-16(15)26-17-18-19-20-22(17)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2