N-[benzotriazol-1-yl-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methyl]pyridin-2-amine

Systemtic Name: N-[benzotriazol-1-yl-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methyl]pyridin-2-amine Openeye Name: N-[benzotriazol-1-yl-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methyl]pyridin-2-amine CAS Name: N-[1-benzotriazolyl-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methyl]-2-pyridinamine IUPAC Name: N-[benzotriazol-1-yl-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methyl]pyridin-2-amine Traditional Name: [benzotriazol-1-yl-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]methyl]-(2-pyridyl)amine Formula: C27H21N9O2S MolecularWeight: 535.57974

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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-])C6=CC=CC=C6

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C(NC3=CC=CC=N3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-])C6=CC=CC=C6

InChI

InChI=1S/C27H21N9O2S/c1-34-26(18-9-3-2-4-10-18)31-32-27(34)39-23-15-14-19(17-22(23)36(37)38)25(29-24-13-7-8-16-28-24)35-21-12-6-5-11-20(21)30-33-35/h2-17,25H,1H3,(H,28,29)