1-(4-methoxy-3-nitro-phenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-nitro-phenyl)methanimine CAS Name: 1-(4-methoxy-3-nitrophenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-nitrophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(4-methoxy-3-nitro-benzylidene)amine Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1/N=C/C2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-13-20-21-18(27-12-14-6-4-3-5-7-14)22(13)19-11-15-8-9-17(26-2)16(10-15)23(24)25/h3-11H,12H2,1-2H3/b19-11+