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

Systemtic Name: N-tert-butyl-2-[methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]ethanamide Openeye Name: 2-[[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]acetamide IUPAC Name: N-tert-butyl-2-[methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]acetamide Traditional Name: 2-[[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide Formula: C18H26N6OS MolecularWeight: 374.50364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6OS/c1-6-10-23-16(14-8-7-9-19-11-14)21-24(17(23)26)13-22(5)12-15(25)20-18(2,3)4/h6-9,11H,1,10,12-13H2,2-5H3,(H,20,25)