1-[2-(2-azidophenyl)ethyl]-3-(3-bromanylpyrazin-2-yl)thiourea

Systemtic Name: 1-[2-(2-azidophenyl)ethyl]-3-(3-bromanylpyrazin-2-yl)thiourea Openeye Name: 1-[2-(2-azidophenyl)ethyl]-3-(3-bromopyrazin-2-yl)thiourea CAS Name: 1-[2-(2-azidophenyl)ethyl]-3-(3-bromo-2-pyrazinyl)thiourea IUPAC Name: 1-[2-(2-azidophenyl)ethyl]-3-(3-bromopyrazin-2-yl)thiourea Traditional Name: 1-[2-(2-azidophenyl)ethyl]-3-(3-bromopyrazin-2-yl)thiourea Formula: C13H12BrN7S MolecularWeight: 378.25028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCNC(=S)NC2=NC=CN=C2Br)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C(=C1)CCNC(=S)NC2=NC=CN=C2Br)N=[N+]=[N-]

InChI

InChI=1S/C13H12BrN7S/c14-11-12(17-8-7-16-11)19-13(22)18-6-5-9-3-1-2-4-10(9)20-21-15/h1-4,7-8H,5-6H2,(H2,17,18,19,22)