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

Systemtic Name: 2-[[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-allyl-3-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-allyl-3-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C22H33N5OS MolecularWeight: 415.59532

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5OS/c1-7-13-23-19(28)15-25(6)16-27-21(29)26(14-8-2)20(24-27)17-9-11-18(12-10-17)22(3,4)5/h8-12H,2,7,13-16H2,1,3-6H3,(H,23,28)