4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(1-ethylpyrazol-1-ium-1-yl)benzamide

Systemtic Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(1-ethylpyrazol-1-ium-1-yl)benzamide Openeye Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(1-ethylpyrazol-1-ium-1-yl)benzamide CAS Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(1-ethyl-1-pyrazol-1-iumyl)benzamide IUPAC Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(1-ethylpyrazol-1-ium-1-yl)benzamide Traditional Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(1-ethylpyrazol-1-ium-1-yl)benzamide Formula: C21H27N6OS+ MolecularWeight: 411.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=CC=N1)NC(=O)C2=CC=C(C=C2)C3=NN(C(=NC4CCCCC4)S3)C

Isomeric SMILES

CC[N+]1(C=CC=N1)NC(=O)C2=CC=C(C=C2)C3=NN(C(=NC4CCCCC4)S3)C

InChI

InChI=1S/C21H26N6OS/c1-3-27(15-7-14-22-27)25-19(28)16-10-12-17(13-11-16)20-24-26(2)21(29-20)23-18-8-5-4-6-9-18/h7,10-15,18H,3-6,8-9H2,1-2H3/p+1