2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(5-chloranylthiophen-2-yl)methyl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(5-chloranylthiophen-2-yl)methyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(5-chloro-2-thienyl)methyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(5-chloro-2-thiophenyl)methyl]-N-prop-2-enylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(5-chloro-2-thienyl)methyl]acetamide Formula: C12H14ClN5OS2 MolecularWeight: 343.85546

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H14ClN5OS2/c1-2-5-18(6-8-3-4-9(13)21-8)10(19)7-20-12-15-11(14)16-17-12/h2-4H,1,5-7H2,(H3,14,15,16,17)