1-[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]-3-[4-(4-pyridylmethyl)phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylsulfonylphenyl)-3-pyrazolyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(4-mesylphenyl)pyrazol-3-yl]-3-[4-(4-pyridylmethyl)phenyl]urea Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H29N5O3S/c1-27(2,3)24-18-25(32(31-24)22-9-11-23(12-10-22)36(4,34)35)30-26(33)29-21-7-5-19(6-8-21)17-20-13-15-28-16-14-20/h5-16,18H,17H2,1-4H3,(H2,29,30,33)