2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=C(N(C(=C3)C)CCOC)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=C(N(C(=C3)C)CCOC)C

InChI

InChI=1S/C25H32N4O3S/c1-6-12-29-24(16-32-21-10-8-20(7-2)9-11-21)26-27-25(29)33-17-23(30)22-15-18(3)28(19(22)4)13-14-31-5/h6,8-11,15H,1,7,12-14,16-17H2,2-5H3