3-[1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[1-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[1-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[1-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-4-yl]propionamide Formula: C22H29N5OS2 MolecularWeight: 443.62856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=CS3)CCC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=CS3)CCC(=O)N

InChI

InChI=1S/C22H29N5OS2/c1-22(2,3)17-9-7-16(8-10-17)14-25(4)15-27-21(29)26(12-11-19(23)28)20(24-27)18-6-5-13-30-18/h5-10,13H,11-12,14-15H2,1-4H3,(H2,23,28)