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

Systemtic Name: 3-[3-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4

InChI

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