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

Systemtic Name: 3-[5-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CC=C)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CC=C)C)CCC(=O)N

InChI

InChI=1S/C18H25N5O2S/c1-5-9-23-12(3)10-14(13(23)4)15(24)11-26-18-21-20-17(22(18)6-2)8-7-16(19)25/h5,10H,1,6-9,11H2,2-4H3,(H2,19,25)