(2S)-2-(benzotriazol-1-yl)-2-(1-methylindol-3-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-2-(1-methylindol-3-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone Openeye Name: (2S)-2-(benzotriazol-1-yl)-2-(1-methylindol-3-yl)-1-(2-methylthiazol-4-yl)ethanone CAS Name: (2S)-2-(1-benzotriazolyl)-2-(1-methyl-3-indolyl)-1-(2-methyl-4-thiazolyl)ethanone IUPAC Name: (2S)-2-(benzotriazol-1-yl)-2-(1-methylindol-3-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-(1-methylindol-3-yl)-1-(2-methylthiazol-4-yl)ethanone Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)C(C2=CN(C3=CC=CC=C32)C)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=NC(=CS1)C(=O)[C@H](C2=CN(C3=CC=CC=C32)C)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H17N5OS/c1-13-22-17(12-28-13)21(27)20(26-19-10-6-4-8-16(19)23-24-26)15-11-25(2)18-9-5-3-7-14(15)18/h3-12,20H,1-2H3/t20-/m0/s1