5-azanyl-3-(4-bromophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-(4-bromophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-(4-bromophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(4-bromophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-(4-bromophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-(4-bromophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Formula: C10H10BrN5S MolecularWeight: 312.1889

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)Br)N

Isomeric SMILES

CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C10H10BrN5S/c1-13-10(17)16-9(12)14-8(15-16)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,13,17)(H2,12,14,15)