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

Systemtic Name: 3-[5-[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-isobutyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(N3CC(C)C)CCC(=O)N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(N3CC(C)C)CCC(=O)N)C)C

InChI

InChI=1S/C25H33N5O2S/c1-15(2)13-29-24(10-9-23(26)32)27-28-25(29)33-14-22(31)21-12-18(5)30(19(21)6)20-8-7-16(3)17(4)11-20/h7-8,11-12,15H,9-10,13-14H2,1-6H3,(H2,26,32)