N-(1,2-benzoxazol-3-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline

Systemtic Name: N-(1,2-benzoxazol-3-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline Openeye Name: N-(1,2-benzoxazol-3-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline CAS Name: N-(1,2-benzoxazol-3-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline IUPAC Name: N-(1,2-benzoxazol-3-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline Traditional Name: [2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]phenyl]-(indoxazen-3-ylmethyl)amine Formula: C22H16BrN5O MolecularWeight: 446.29934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN(C=N2)C3=CC(=CC=C3)Br)NCC4=NOC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN(C=N2)C3=CC(=CC=C3)Br)NCC4=NOC5=CC=CC=C54

InChI

InChI=1S/C22H16BrN5O/c23-15-6-5-7-16(12-15)28-14-25-22(26-28)18-9-1-3-10-19(18)24-13-20-17-8-2-4-11-21(17)29-27-20/h1-12,14,24H,13H2