2-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C20H31N5OS MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C20H31N5OS/c1-7-12-21-17(26)13-23(5)14-25-19(27)24(6)18(22-25)15-8-10-16(11-9-15)20(2,3)4/h8-11H,7,12-14H2,1-6H3,(H,21,26)