4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzenecarbothioamide Openeye Name: 4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzenecarbothioamide CAS Name: 4-[mercapto(1H-1,2,4-triazol-5-yl)methyl]benzenecarbothioamide IUPAC Name: 4-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzenecarbothioamide Traditional Name: 4-[mercapto(1H-1,2,4-triazol-5-yl)methyl]thiobenzamide Formula: C10H10N4S2 MolecularWeight: 250.3432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=NC=NN2)S)C(=S)N

Isomeric SMILES

C1=CC(=CC=C1C(C2=NC=NN2)S)C(=S)N

InChI

InChI=1S/C10H10N4S2/c11-9(16)7-3-1-6(2-4-7)8(15)10-12-5-13-14-10/h1-5,8,15H,(H2,11,16)(H,12,13,14)