N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine

Systemtic Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine CAS Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: [2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H16N4O4S/c1-11-19(12(2)22-21-11)28-18-6-4-3-5-14(18)20-9-13-7-16-17(27-10-26-16)8-15(13)23(24)25/h3-9H,10H2,1-2H3,(H,21,22)