N-[benzotriazol-1-yl-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methyl]pyridin-2-amine

Systemtic Name: N-[benzotriazol-1-yl-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methyl]pyridin-2-amine Openeye Name: N-[benzotriazol-1-yl-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methyl]pyridin-2-amine CAS Name: N-[1-benzotriazolyl-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methyl]-2-pyridinamine IUPAC Name: N-[benzotriazol-1-yl-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methyl]pyridin-2-amine Traditional Name: [benzotriazol-1-yl-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]methyl]-(2-pyridyl)amine Formula: C22H18N8O2S MolecularWeight: 458.49572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C(NC3=CC=CC=N3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)C(NC3=CC=CC=N3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N8O2S/c1-28-13-12-24-22(28)33-19-10-9-15(14-18(19)30(31)32)21(25-20-8-4-5-11-23-20)29-17-7-3-2-6-16(17)26-27-29/h2-14,21H,1H3,(H,23,25)