3-[2-(2-azanylethyl)-3,5-diethyl-imidazol-4-yl]sulfanyl-5-chloranyl-benzenecarbonitrile; 2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 3-[2-(2-azanylethyl)-3,5-diethyl-imidazol-4-yl]sulfanyl-5-chloranyl-benzenecarbonitrile; 2,3-bis(oxidanyl)butanedioic acid Openeye Name: 3-[2-(2-aminoethyl)-3,5-diethyl-imidazol-4-yl]sulfanyl-5-chloro-benzonitrile; 2,3-dihydroxybutanedioic acid CAS Name: 3-[[2-(2-aminoethyl)-3,5-diethyl-4-imidazolyl]thio]-5-chlorobenzonitrile; 2,3-dihydroxybutanedioic acid IUPAC Name: 3-[2-(2-aminoethyl)-3,5-diethylimidazol-4-yl]sulfanyl-5-chlorobenzonitrile; 2,3-dihydroxybutanedioic acid Traditional Name: 3-[[2-(2-aminoethyl)-3,5-diethyl-imidazol-4-yl]thio]-5-chloro-benzonitrile; tartaric acid Formula: C20H25ClN4O6S MolecularWeight: 484.9537

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=N1)CCN)CC)SC2=CC(=CC(=C2)C#N)Cl.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCC1=C(N(C(=N1)CCN)CC)SC2=CC(=CC(=C2)C#N)Cl.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C16H19ClN4S.C4H6O6/c1-3-14-16(21(4-2)15(20-14)5-6-18)22-13-8-11(10-19)7-12(17)9-13;5-1(3(7)8)2(6)4(9)10/h7-9H,3-6,18H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)