2-(benzotriazol-1-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]acetamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C20H18N6OS/c1-13-11-14(2)22-20(21-13)28-16-9-7-15(8-10-16)23-19(27)12-26-18-6-4-3-5-17(18)24-25-26/h3-11H,12H2,1-2H3,(H,23,27)