2-(3,4-diethoxyphenyl)ethyl-[1-(5-phenylazanyl-1,2,4-thiadiazol-3-yl)prop-1-en-2-yl]azanium

Systemtic Name: 2-(3,4-diethoxyphenyl)ethyl-[1-(5-phenylazanyl-1,2,4-thiadiazol-3-yl)prop-1-en-2-yl]azanium Openeye Name: [2-(5-anilino-1,2,4-thiadiazol-3-yl)-1-methyl-vinyl]-[2-(3,4-diethoxyphenyl)ethyl]ammonium CAS Name: 1-(5-anilino-1,2,4-thiadiazol-3-yl)prop-1-en-2-yl-[2-(3,4-diethoxyphenyl)ethyl]ammonium IUPAC Name: 1-(5-anilino-1,2,4-thiadiazol-3-yl)prop-1-en-2-yl-[2-(3,4-diethoxyphenyl)ethyl]azanium Traditional Name: [2-(5-anilino-1,2,4-thiadiazol-3-yl)-1-methyl-vinyl]-[2-(3,4-diethoxyphenyl)ethyl]ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC[NH2+]C(=CC2=NSC(=N2)NC3=CC=CC=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC[NH2+]C(=CC2=NSC(=N2)NC3=CC=CC=C3)C)OCC

InChI

InChI=1S/C23H28N4O2S/c1-4-28-20-12-11-18(16-21(20)29-5-2)13-14-24-17(3)15-22-26-23(30-27-22)25-19-9-7-6-8-10-19/h6-12,15-16,24H,4-5,13-14H2,1-3H3,(H,25,26,27)/p+1