N-tert-butyl-2-[[5-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[5-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-[[(E)-cinnamyl]amino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[5-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-[[(E)-cinnamyl]amino]-5-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NCC=CC2=CC=CC=C2)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1NC/C=C/C2=CC=CC=C2)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C18H25N5OS/c1-14-21-22-17(25-13-16(24)20-18(2,3)4)23(14)19-12-8-11-15-9-6-5-7-10-15/h5-11,19H,12-13H2,1-4H3,(H,20,24)/b11-8+