1-[[2-[(S)-methoxy(thiophen-3-yl)methyl]-1-methyl-indol-3-yl]methyl]benzotriazole

Systemtic Name: 1-[[2-[(S)-methoxy(thiophen-3-yl)methyl]-1-methyl-indol-3-yl]methyl]benzotriazole Openeye Name: 1-[[2-[(S)-methoxy(3-thienyl)methyl]-1-methyl-indol-3-yl]methyl]benzotriazole CAS Name: 1-[[2-[(S)-methoxy(3-thiophenyl)methyl]-1-methyl-3-indolyl]methyl]benzotriazole IUPAC Name: 1-[[2-[(S)-methoxy(thiophen-3-yl)methyl]-1-methylindol-3-yl]methyl]benzotriazole Traditional Name: 1-[[2-[(S)-methoxy(3-thienyl)methyl]-1-methyl-indol-3-yl]methyl]benzotriazole Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(C3=CSC=C3)OC)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1[C@H](C3=CSC=C3)OC)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H20N4OS/c1-25-19-9-5-3-7-16(19)17(21(25)22(27-2)15-11-12-28-14-15)13-26-20-10-6-4-8-18(20)23-24-26/h3-12,14,22H,13H2,1-2H3/t22-/m0/s1