3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-2-furylmethyleneamino]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3-bromophenyl)methylthio]-N-[(E)-2-furanylmethylideneamino]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-N-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3-bromobenzyl)thio]-1H-1,2,4-triazol-5-yl]-[(E)-2-furfurylideneamino]amine Formula: C14H12BrN5OS MolecularWeight: 378.24698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NNC(=N2)NN=CC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NNC(=N2)N/N=C/C3=CC=CO3

InChI

InChI=1S/C14H12BrN5OS/c15-11-4-1-3-10(7-11)9-22-14-17-13(19-20-14)18-16-8-12-5-2-6-21-12/h1-8H,9H2,(H2,17,18,19,20)/b16-8+