2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-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-phenyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-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-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C22H24N4OS/c1-4-12-25-21(17-10-11-17)23-24-22(25)28-14-20(27)19-13-15(2)26(16(19)3)18-8-6-5-7-9-18/h4-9,13,17H,1,10-12,14H2,2-3H3