(2S)-2-[(4-bromanyl-3-methyl-phenyl)amino]-2-(4-imidazol-1-ylphenyl)ethanenitrile

Systemtic Name: (2S)-2-[(4-bromanyl-3-methyl-phenyl)amino]-2-(4-imidazol-1-ylphenyl)ethanenitrile Openeye Name: (2S)-2-(4-bromo-3-methyl-anilino)-2-(4-imidazol-1-ylphenyl)acetonitrile CAS Name: (2S)-2-(4-bromo-3-methylanilino)-2-[4-(1-imidazolyl)phenyl]acetonitrile IUPAC Name: (2S)-2-(4-bromo-3-methylanilino)-2-(4-imidazol-1-ylphenyl)acetonitrile Traditional Name: (2S)-2-(4-bromo-3-methyl-anilino)-2-(4-imidazol-1-ylphenyl)acetonitrile Formula: C18H15BrN4 MolecularWeight: 367.2425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(C#N)C2=CC=C(C=C2)N3C=CN=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N[C@H](C#N)C2=CC=C(C=C2)N3C=CN=C3)Br

InChI

InChI=1S/C18H15BrN4/c1-13-10-15(4-7-17(13)19)22-18(11-20)14-2-5-16(6-3-14)23-9-8-21-12-23/h2-10,12,18,22H,1H3/t18-/m1/s1