N-[3-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]-2-nitro-aniline

Systemtic Name: N-[3-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]-2-nitro-aniline Openeye Name: N-[3-[1-(1-naphthyl)tetrazol-5-yl]sulfanylpropyl]-2-nitro-aniline CAS Name: N-[3-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]propyl]-2-nitroaniline IUPAC Name: N-[3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropyl]-2-nitroaniline Traditional Name: 3-[[1-(1-naphthyl)tetrazol-5-yl]thio]propyl-(2-nitrophenyl)amine Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O2S/c27-26(28)19-11-4-3-10-17(19)21-13-6-14-29-20-22-23-24-25(20)18-12-5-8-15-7-1-2-9-16(15)18/h1-5,7-12,21H,6,13-14H2