3-methyl-N-[4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]phenyl]butyramide Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C20H23N5O2S2/c1-13(2)12-18(27)22-15-7-5-14(6-8-15)21-17(26)9-10-25-19(23-24-20(25)28)16-4-3-11-29-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,26)(H,22,27)(H,24,28)