(2-chlorophenyl)-[2-[3-(dimethylaminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-ethyl-thiophen-3-yl]methanone; ethanedioic acid

Systemtic Name: (2-chlorophenyl)-[2-[3-(dimethylaminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-ethyl-thiophen-3-yl]methanone; ethanedioic acid Openeye Name: (2-chlorophenyl)-[2-[3-(dimethylaminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-ethyl-3-thienyl]methanone; oxalic acid CAS Name: (2-chlorophenyl)-[2-[3-(dimethylaminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-ethyl-3-thiophenyl]methanone; oxalic acid IUPAC Name: (2-chlorophenyl)-[2-[3-(dimethylaminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-ethylthiophen-3-yl]methanone; oxalic acid Traditional Name: (2-chlorophenyl)-[2-[3-(dimethylaminomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-ethyl-3-thienyl]methanone; oxalic acid Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)N2C(=NN=C2CN(C)C)C)C(=O)C3=CC=CC=C3Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC(=C(S1)N2C(=NN=C2CN(C)C)C)C(=O)C3=CC=CC=C3Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21ClN4OS.C2H2O4/c1-5-13-10-15(18(25)14-8-6-7-9-16(14)20)19(26-13)24-12(2)21-22-17(24)11-23(3)4;3-1(4)2(5)6/h6-10H,5,11H2,1-4H3;(H,3,4)(H,5,6)