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

Systemtic Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[3-(4-tert-butylphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN(C)CC(=O)NC3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN(C)CC(=O)NC3CC3

InChI

InChI=1S/C20H29N5OS/c1-20(2,3)15-8-6-14(7-9-15)18-22-25(19(27)24(18)5)13-23(4)12-17(26)21-16-10-11-16/h6-9,16H,10-13H2,1-5H3,(H,21,26)