3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzoxazol-2-ylmethylthio)-5-(3-bromophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(3-bromophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzoxazol-2-ylmethylthio)-5-(3-bromophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H12BrN5OS MolecularWeight: 402.26838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)CSC3=NN=C(N3N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C16H12BrN5OS/c17-11-5-3-4-10(8-11)15-20-21-16(22(15)18)24-9-14-19-12-6-1-2-7-13(12)23-14/h1-8H,9,18H2