3-(4-methylphenyl)sulfonyl-1-phenethyl-1-pyrazin-2-yl-urea

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-phenethyl-1-pyrazin-2-yl-urea Openeye Name: 1-phenethyl-3-(p-tolylsulfonyl)-1-pyrazin-2-yl-urea CAS Name: 3-(4-methylphenyl)sulfonyl-1-phenethyl-1-(2-pyrazinyl)urea IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-phenethyl-1-pyrazin-2-ylurea Traditional Name: 1-phenethyl-1-pyrazin-2-yl-3-tosyl-urea Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCC2=CC=CC=C2)C3=NC=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCC2=CC=CC=C2)C3=NC=CN=C3

InChI

InChI=1S/C20H20N4O3S/c1-16-7-9-18(10-8-16)28(26,27)23-20(25)24(19-15-21-12-13-22-19)14-11-17-5-3-2-4-6-17/h2-10,12-13,15H,11,14H2,1H3,(H,23,25)