tert-butyl N-[4-[4-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)sulfanylmethyl]phenyl]pyridin-3-yl]carbamate

Systemtic Name: tert-butyl N-[4-[4-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)sulfanylmethyl]phenyl]pyridin-3-yl]carbamate Openeye Name: tert-butyl N-[4-[4-[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)sulfanylmethyl]phenyl]-3-pyridyl]carbamate CAS Name: N-[4-[4-[[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)thio]methyl]phenyl]-3-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)sulfanylmethyl]phenyl]pyridin-3-yl]carbamate Traditional Name: N-[4-[4-[[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)thio]methyl]phenyl]-3-pyridyl]carbamic acid tert-butyl ester Formula: C25H29ClN4O3S MolecularWeight: 501.04076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=C(C=NC=C3)NC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=C(C=NC=C3)NC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C25H29ClN4O3S/c1-24(2,3)30-22(31)21(26)20(14-28-30)34-15-16-7-9-17(10-8-16)18-11-12-27-13-19(18)29-23(32)33-25(4,5)6/h7-14H,15H2,1-6H3,(H,29,32)