1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]azepane

Systemtic Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]azepane Openeye Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]azepane CAS Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]azepane IUPAC Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]azepane Traditional Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]azepane Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O2S/c1-18-11-16-17-15(18)23-14-10-12(6-7-13(14)20(21)22)19-8-4-2-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3