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

Systemtic Name: 2-[3-cyclopropyl-5-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-cyclopropyl-5-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-cyclopropyl-5-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2CC(=O)N)C3CC3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2CC(=O)N)C3CC3

InChI

InChI=1S/C18H23N5O2S/c1-4-7-22-11(2)8-14(12(22)3)15(24)10-26-18-21-20-17(13-5-6-13)23(18)9-16(19)25/h4,8,13H,1,5-7,9-10H2,2-3H3,(H2,19,25)