5-azanyl-N-(4-bromanyl-2-methyl-phenyl)-3-phenylazanyl-1,2,4-triazole-1-carboxamide

Systemtic Name: 5-azanyl-N-(4-bromanyl-2-methyl-phenyl)-3-phenylazanyl-1,2,4-triazole-1-carboxamide Openeye Name: 5-amino-3-anilino-N-(4-bromo-2-methyl-phenyl)-1,2,4-triazole-1-carboxamide CAS Name: 5-amino-3-anilino-N-(4-bromo-2-methylphenyl)-1,2,4-triazole-1-carboxamide IUPAC Name: 5-amino-3-anilino-N-(4-bromo-2-methylphenyl)-1,2,4-triazole-1-carboxamide Traditional Name: 5-amino-3-anilino-N-(4-bromo-2-methyl-phenyl)-1,2,4-triazole-1-carboxamide Formula: C16H15BrN6O MolecularWeight: 387.2339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)N2C(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)N2C(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C16H15BrN6O/c1-10-9-11(17)7-8-13(10)20-16(24)23-14(18)21-15(22-23)19-12-5-3-2-4-6-12/h2-9H,1H3,(H,20,24)(H3,18,19,21,22)