2-(4-nitrophenyl)sulfanyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrophenyl)thio]acetamide Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3S2/c22-15(11-25-14-8-6-13(7-9-14)21(23)24)18-17-20-19-16(26-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,20,22)