2-azanyl-4-[5-[5-(3,5-dimethylphenyl)pent-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol

Systemtic Name: 2-azanyl-4-[5-[5-(3,5-dimethylphenyl)pent-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol Openeye Name: 2-amino-4-[5-[5-(3,5-dimethylphenyl)pent-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol CAS Name: 2-amino-4-[5-[5-(3,5-dimethylphenyl)pent-1-ynyl]-2-thiophenyl]-2-methyl-1-butanol IUPAC Name: 2-amino-4-[5-[5-(3,5-dimethylphenyl)pent-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol Traditional Name: 2-amino-4-[5-[5-(3,5-dimethylphenyl)pent-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol Formula: C22H29NOS MolecularWeight: 355.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCCC#CC2=CC=C(S2)CCC(C)(CO)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCCC#CC2=CC=C(S2)CCC(C)(CO)N)C

InChI

InChI=1S/C22H29NOS/c1-17-13-18(2)15-19(14-17)7-5-4-6-8-20-9-10-21(25-20)11-12-22(3,23)16-24/h9-10,13-15,24H,4-5,7,11-12,16,23H2,1-3H3