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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C24H28N4OS/c1-4-13-28-23(20-10-11-20)25-26-24(28)30-16-22(29)21-15-17(2)27(18(21)3)14-12-19-8-6-5-7-9-19/h4-9,15,20H,1,10-14,16H2,2-3H3