1-[2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-3-phenyl-thiourea

Systemtic Name: 1-[2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-3-phenyl-thiourea Openeye Name: 1-phenyl-3-[3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]thiourea CAS Name: 1-[2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-3-phenylthiourea IUPAC Name: 1-[2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-3-phenylthiourea Traditional Name: 1-phenyl-3-[3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]thiourea Formula: C22H19N4S2+ MolecularWeight: 403.54306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(N=C(S2)NC(=S)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(N=C(S2)NC(=S)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4S2/c1-16-12-14-19(15-13-16)26-20(17-8-4-2-5-9-17)24-22(28-26)25-21(27)23-18-10-6-3-7-11-18/h2-15H,1H3,(H,23,27)/p+1