3-(5-chloranyl-3-ethanoyl-thiophen-2-yl)sulfanyl-N,N-diethyl-1,2,4-triazole-1-carboxamide

Systemtic Name: 3-(5-chloranyl-3-ethanoyl-thiophen-2-yl)sulfanyl-N,N-diethyl-1,2,4-triazole-1-carboxamide Openeye Name: 3-[(3-acetyl-5-chloro-2-thienyl)sulfanyl]-N,N-diethyl-1,2,4-triazole-1-carboxamide CAS Name: 3-[(3-acetyl-5-chloro-2-thiophenyl)thio]-N,N-diethyl-1,2,4-triazole-1-carboxamide IUPAC Name: 3-(3-acetyl-5-chlorothiophen-2-yl)sulfanyl-N,N-diethyl-1,2,4-triazole-1-carboxamide Traditional Name: 3-[(3-acetyl-5-chloro-2-thienyl)thio]-N,N-diethyl-1,2,4-triazole-1-carboxamide Formula: C13H15ClN4O2S2 MolecularWeight: 358.8668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=NC(=N1)SC2=C(C=C(S2)Cl)C(=O)C

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)SC2=C(C=C(S2)Cl)C(=O)C

InChI

InChI=1S/C13H15ClN4O2S2/c1-4-17(5-2)13(20)18-7-15-12(16-18)22-11-9(8(3)19)6-10(14)21-11/h6-7H,4-5H2,1-3H3