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

Systemtic Name: 2-azanyl-2-methyl-4-[5-[5-(3-methylphenyl)pent-1-ynyl]thiophen-2-yl]butan-1-ol Openeye Name: 2-amino-2-methyl-4-[5-[5-(m-tolyl)pent-1-ynyl]-2-thienyl]butan-1-ol CAS Name: 2-amino-2-methyl-4-[5-[5-(3-methylphenyl)pent-1-ynyl]-2-thiophenyl]-1-butanol IUPAC Name: 2-amino-2-methyl-4-[5-[5-(3-methylphenyl)pent-1-ynyl]thiophen-2-yl]butan-1-ol Traditional Name: 2-amino-2-methyl-4-[5-[5-(m-tolyl)pent-1-ynyl]-2-thienyl]butan-1-ol Formula: C21H27NOS MolecularWeight: 341.51018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NOS/c1-17-7-6-9-18(15-17)8-4-3-5-10-19-11-12-20(24-19)13-14-21(2,22)16-23/h6-7,9,11-12,15,23H,3-4,8,13-14,16,22H2,1-2H3