3-[[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one

Systemtic Name: 3-[[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one Openeye Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(2-thienylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one CAS Name: 3-[[(1-tert-butyl-5-tetrazolyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one IUPAC Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one Traditional Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(2-thenyl)amino]methyl]-6-methyl-carbostyril Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)CC4=NN=NN4C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)CC4=NN=NN4C(C)(C)C

InChI

InChI=1S/C22H26N6OS/c1-15-7-8-19-16(10-15)11-17(21(29)23-19)12-27(13-18-6-5-9-30-18)14-20-24-25-26-28(20)22(2,3)4/h5-11H,12-14H2,1-4H3,(H,23,29)