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

Systemtic Name: N-[benzotriazol-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methyl]pyridin-2-amine Openeye Name: N-[benzotriazol-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methyl]pyridin-2-amine CAS Name: N-[1-benzotriazolyl-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methyl]-2-pyridinamine IUPAC Name: N-[benzotriazol-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methyl]pyridin-2-amine Traditional Name: [benzotriazol-1-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]methyl]-(2-pyridyl)amine Formula: C21H17N9O2S MolecularWeight: 459.48378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N9O2S/c1-28-13-23-26-21(28)33-18-10-9-14(12-17(18)30(31)32)20(24-19-8-4-5-11-22-19)29-16-7-3-2-6-15(16)25-27-29/h2-13,20H,1H3,(H,22,24)