1-(4-butan-2-ylphenyl)-3-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]thiourea Openeye Name: 1-[4-[(6-chloropyridazin-3-yl)amino]phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-[(6-chloro-3-pyridazinyl)amino]phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiourea Traditional Name: 1-[4-[(6-chloropyridazin-3-yl)amino]phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C21H22ClN5S MolecularWeight: 411.95088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5S/c1-3-14(2)15-4-6-17(7-5-15)24-21(28)25-18-10-8-16(9-11-18)23-20-13-12-19(22)26-27-20/h4-14H,3H2,1-2H3,(H,23,27)(H2,24,25,28)