1-(1,3-benzodioxol-5-yl)-3-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-chloro-3-pyridazinyl)amino]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiourea Formula: C18H14ClN5O2S MolecularWeight: 399.85406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C18H14ClN5O2S/c19-16-7-8-17(24-23-16)20-11-1-3-12(4-2-11)21-18(27)22-13-5-6-14-15(9-13)26-10-25-14/h1-9H,10H2,(H,20,24)(H2,21,22,27)