4-methyl-N-[2-methyl-1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)propyl]benzamide

Systemtic Name: 4-methyl-N-[2-methyl-1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)propyl]benzamide Openeye Name: N-[1-(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: 4-methyl-N-[2-methyl-1-[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: 4-methyl-N-[2-methyl-1-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)propyl]benzamide Traditional Name: N-[1-[4-allyl-5-(phenacylthio)-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methyl-benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H28N4O2S/c1-5-15-29-23(22(17(2)3)26-24(31)20-13-11-18(4)12-14-20)27-28-25(29)32-16-21(30)19-9-7-6-8-10-19/h5-14,17,22H,1,15-16H2,2-4H3,(H,26,31)