3-[3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C20H25N5O2S2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)C

InChI

InChI=1S/C20H25N5O2S2/c1-4-8-24-13(2)11-15(14(24)3)16(26)12-29-20-23-22-19(17-6-5-10-28-17)25(20)9-7-18(21)27/h5-6,10-11H,4,7-9,12H2,1-3H3,(H2,21,27)