1-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[4-[(6-chloropyridazin-3-yl)amino]phenyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[4-[(6-chloro-3-pyridazinyl)amino]phenyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[4-[(6-chloropyridazin-3-yl)amino]phenyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[4-[(6-chloropyridazin-3-yl)amino]phenyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H16ClN5O2S MolecularWeight: 437.90204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN5O2S/c1-12-10-20(28)29-17-11-15(6-7-16(12)17)25-21(30)24-14-4-2-13(3-5-14)23-19-9-8-18(22)26-27-19/h2-11H,1H3,(H,23,27)(H2,24,25,30)