1-(3-nitro-4-pyrrolidin-1-yl-phenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(3-nitro-4-pyrrolidin-1-yl-phenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanimine CAS Name: 1-[3-nitro-4-(1-pyrrolidinyl)phenyl]-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine Traditional Name: [3-(benzylthio)-1,2,4-triazol-4-yl]-(3-nitro-4-pyrrolidino-benzylidene)amine Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=NN3C=NN=C3SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C=NN3C=NN=C3SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O2S/c27-26(28)19-12-17(8-9-18(19)24-10-4-5-11-24)13-22-25-15-21-23-20(25)29-14-16-6-2-1-3-7-16/h1-3,6-9,12-13,15H,4-5,10-11,14H2