2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C)C4CC4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C)C4CC4

InChI

InChI=1S/C22H26N4OS/c1-15-13-19(16(2)26(15)12-11-17-7-5-4-6-8-17)20(27)14-28-22-24-23-21(25(22)3)18-9-10-18/h4-8,13,18H,9-12,14H2,1-3H3