6-nitro-3-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1H-indole

Systemtic Name: 6-nitro-3-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1H-indole Openeye Name: 3-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-6-nitro-1H-indole CAS Name: 6-nitro-3-[[[1-(phenylmethyl)-5-tetrazolyl]thio]methyl]-1H-indole IUPAC Name: 3-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-6-nitro-1H-indole Traditional Name: 3-[[(1-benzyltetrazol-5-yl)thio]methyl]-6-nitro-1H-indole Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O2S/c24-23(25)14-6-7-15-13(9-18-16(15)8-14)11-26-17-19-20-21-22(17)10-12-4-2-1-3-5-12/h1-9,18H,10-11H2