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

Systemtic Name: 2-[[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[4-allyl-3-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[4-allyl-3-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)CN(C)CC(=O)NC3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)CN(C)CC(=O)NC3CC3

InChI

InChI=1S/C22H31N5OS/c1-6-13-26-20(16-7-9-17(10-8-16)22(2,3)4)24-27(21(26)29)15-25(5)14-19(28)23-18-11-12-18/h6-10,18H,1,11-15H2,2-5H3,(H,23,28)