1-[5-[(3,4-dichlorophenyl)amino]-1,2,4-thiadiazol-3-yl]prop-1-en-2-yl-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: 1-[5-[(3,4-dichlorophenyl)amino]-1,2,4-thiadiazol-3-yl]prop-1-en-2-yl-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: [2-[5-(3,4-dichloroanilino)-1,2,4-thiadiazol-3-yl]-1-methyl-vinyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 1-[5-(3,4-dichloroanilino)-1,2,4-thiadiazol-3-yl]prop-1-en-2-yl-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: 1-[5-(3,4-dichloroanilino)-1,2,4-thiadiazol-3-yl]prop-1-en-2-yl-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: [2-[5-(3,4-dichloroanilino)-1,2,4-thiadiazol-3-yl]-1-methyl-vinyl]-(3,4,5-trimethoxybenzyl)ammonium Formula: C21H23Cl2N4O3S+ MolecularWeight: 482.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NSC(=N1)NC2=CC(=C(C=C2)Cl)Cl)[NH2+]CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(=CC1=NSC(=N1)NC2=CC(=C(C=C2)Cl)Cl)[NH2+]CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H22Cl2N4O3S/c1-12(24-11-13-8-17(28-2)20(30-4)18(9-13)29-3)7-19-26-21(31-27-19)25-14-5-6-15(22)16(23)10-14/h5-10,24H,11H2,1-4H3,(H,25,26,27)/p+1