N-[(5-chloranylthiophen-2-yl)methyl]-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(5-chloro-2-thienyl)methyl]-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[(5-chloro-2-thienyl)methyl]-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H16ClN5O3S2 MolecularWeight: 437.92364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O3S2/c1-3-22(9-12-5-7-15(18)27-12)16(24)11-4-6-14(13(8-11)23(25)26)28-17-20-19-10-21(17)2/h4-8,10H,3,9H2,1-2H3