1-[(1S)-1-(5-methylthiophen-2-yl)-4-phenyl-butyl]benzotriazole

Systemtic Name: 1-[(1S)-1-(5-methylthiophen-2-yl)-4-phenyl-butyl]benzotriazole Openeye Name: 1-[(1S)-1-(5-methyl-2-thienyl)-4-phenyl-butyl]benzotriazole CAS Name: 1-[(1S)-1-(5-methyl-2-thiophenyl)-4-phenylbutyl]benzotriazole IUPAC Name: 1-[(1S)-1-(5-methylthiophen-2-yl)-4-phenylbutyl]benzotriazole Traditional Name: 1-[(1S)-1-(5-methyl-2-thienyl)-4-phenyl-butyl]benzotriazole Formula: C21H21N3S MolecularWeight: 347.47654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(CCCC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(S1)[C@H](CCCC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H21N3S/c1-16-14-15-21(25-16)20(13-7-10-17-8-3-2-4-9-17)24-19-12-6-5-11-18(19)22-23-24/h2-6,8-9,11-12,14-15,20H,7,10,13H2,1H3/t20-/m0/s1