3-methyl-N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]butyramide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-15(2)13-20(28)23-18-11-9-16(10-12-18)19(27)14-29-22-25-24-21(26(22)3)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,23,28)