1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(o-tolyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(2-methylphenyl)-1-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(o-tolyl)-1-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC2=C[NH+]=CC=C2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC2=C[NH+]=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C19H19N3OS/c1-15-6-2-3-9-18(15)21-19(24)22(14-17-8-5-11-23-17)13-16-7-4-10-20-12-16/h2-12H,13-14H2,1H3,(H,21,24)/p+1