1-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-thiourea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-thiourea Openeye Name: 1-(p-tolylsulfonyl)-3-(4-pyridyl)thiourea CAS Name: 1-(4-methylphenyl)sulfonyl-3-pyridin-4-ylthiourea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-pyridin-4-ylthiourea Traditional Name: 1-(4-pyridyl)-3-tosyl-thiourea Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=NC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=NC=C2

InChI

InChI=1S/C13H13N3O2S2/c1-10-2-4-12(5-3-10)20(17,18)16-13(19)15-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,19)