ethyl 1-[4-[2-(1-adamantylsulfanyl)ethylcarbamoyl]phenyl]-5-azanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[2-(1-adamantylsulfanyl)ethylcarbamoyl]phenyl]-5-azanyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[2-(1-adamantylsulfanyl)ethylcarbamoyl]phenyl]-5-amino-pyrazole-4-carboxylate CAS Name: 1-[4-[[2-(1-adamantylthio)ethylamino]-oxomethyl]phenyl]-5-amino-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[2-(1-adamantylsulfanyl)ethylcarbamoyl]phenyl]-5-aminopyrazole-4-carboxylate Traditional Name: 1-[4-[2-(1-adamantylthio)ethylcarbamoyl]phenyl]-5-amino-pyrazole-4-carboxylic acid ethyl ester Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCSC34CC5CC(C3)CC(C5)C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCSC34CC5CC(C3)CC(C5)C4)N

InChI

InChI=1S/C25H32N4O3S/c1-2-32-24(31)21-15-28-29(22(21)26)20-5-3-19(4-6-20)23(30)27-7-8-33-25-12-16-9-17(13-25)11-18(10-16)14-25/h3-6,15-18H,2,7-14,26H2,1H3,(H,27,30)