bis(2-cyanoethyl)-[3-[(4-methoxycarbonylphenyl)methyl]-1,3-thiazol-2-ylidene]azanium

Systemtic Name: bis(2-cyanoethyl)-[3-[(4-methoxycarbonylphenyl)methyl]-1,3-thiazol-2-ylidene]azanium Openeye Name: bis(2-cyanoethyl)-[3-[(4-methoxycarbonylphenyl)methyl]thiazol-2-ylidene]ammonium CAS Name: bis(2-cyanoethyl)-[3-[(4-methoxycarbonylphenyl)methyl]-2-thiazolylidene]ammonium IUPAC Name: bis(2-cyanoethyl)-[3-[(4-methoxycarbonylphenyl)methyl]-1,3-thiazol-2-ylidene]azanium Traditional Name: [3-(4-carbomethoxybenzyl)-4-thiazolin-2-ylidene]-bis(2-cyanoethyl)ammonium Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=CSC2=[N+](CCC#N)CCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=CSC2=[N+](CCC#N)CCC#N

InChI

InChI=1S/C18H19N4O2S/c1-24-17(23)16-6-4-15(5-7-16)14-22-12-13-25-18(22)21(10-2-8-19)11-3-9-20/h4-7,12-13H,2-3,10-11,14H2,1H3/q+1