1-(3-chloranyl-2-methyl-phenyl)-3-pyridin-1-ium-2-yl-thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-pyridin-1-ium-2-yl-thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-pyridin-1-ium-2-yl-thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-(2-pyridin-1-iumyl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-pyridin-1-ium-2-ylthiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-pyridin-1-ium-2-yl-thiourea Formula: C13H13ClN3S+ MolecularWeight: 278.78042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=CC=[NH+]2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=CC=CC=[NH+]2

InChI

InChI=1S/C13H12ClN3S/c1-9-10(14)5-4-6-11(9)16-13(18)17-12-7-2-3-8-15-12/h2-8H,1H3,(H2,15,16,17,18)/p+1