N-[benzotriazol-1-yl-(3-nitro-4-quinolin-8-ylsulfanyl-phenyl)methyl]pyridin-2-amine

Systemtic Name: N-[benzotriazol-1-yl-(3-nitro-4-quinolin-8-ylsulfanyl-phenyl)methyl]pyridin-2-amine Openeye Name: N-[benzotriazol-1-yl-[3-nitro-4-(8-quinolylsulfanyl)phenyl]methyl]pyridin-2-amine CAS Name: N-[1-benzotriazolyl-[3-nitro-4-(8-quinolinylthio)phenyl]methyl]-2-pyridinamine IUPAC Name: N-[benzotriazol-1-yl-(3-nitro-4-quinolin-8-ylsulfanylphenyl)methyl]pyridin-2-amine Traditional Name: [benzotriazol-1-yl-[3-nitro-4-(8-quinolylthio)phenyl]methyl]-(2-pyridyl)amine Formula: C27H19N7O2S MolecularWeight: 505.55046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(C3=CC(=C(C=C3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])NC6=CC=CC=N6

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(C3=CC(=C(C=C3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])NC6=CC=CC=N6

InChI

InChI=1S/C27H19N7O2S/c35-34(36)22-17-19(13-14-23(22)37-24-11-5-7-18-8-6-16-29-26(18)24)27(30-25-12-3-4-15-28-25)33-21-10-2-1-9-20(21)31-32-33/h1-17,27H,(H,28,30)