2-methyl-N-[3-[4-methyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: 2-methyl-N-[3-[4-methyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[3-(5-acetonylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[3-[4-methyl-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: 2-methyl-N-[3-[4-methyl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[3-[5-(acetonylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methyl-benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)C

InChI

InChI=1S/C20H20N4O2S/c1-13-7-4-5-10-17(13)19(26)21-16-9-6-8-15(11-16)18-22-23-20(24(18)3)27-12-14(2)25/h4-11H,12H2,1-3H3,(H,21,26)