4-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbothioamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbothioamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbothioamide CAS Name: 4-[mercapto-(4-methyl-1,2,4-triazol-3-yl)methyl]benzenecarbothioamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)-sulfanylmethyl]benzenecarbothioamide Traditional Name: 4-[mercapto-(4-methyl-1,2,4-triazol-3-yl)methyl]thiobenzamide Formula: C11H12N4S2 MolecularWeight: 264.36978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C(C2=CC=C(C=C2)C(=S)N)S

Isomeric SMILES

CN1C=NN=C1C(C2=CC=C(C=C2)C(=S)N)S

InChI

InChI=1S/C11H12N4S2/c1-15-6-13-14-11(15)9(16)7-2-4-8(5-3-7)10(12)17/h2-6,9,16H,1H3,(H2,12,17)