N-[3-ethylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine

Systemtic Name: N-[3-ethylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-[3-ethylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine CAS Name: N-[3-(ethylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-[3-ethylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine Traditional Name: [3-(ethylthio)-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]-(3-nitrobenzylidene)amine Formula: C18H17N5O3S MolecularWeight: 383.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC1=NN=C(N1N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17N5O3S/c1-3-27-18-21-20-17(14-7-9-16(26-2)10-8-14)22(18)19-12-13-5-4-6-15(11-13)23(24)25/h4-12H,3H2,1-2H3