3-nitro-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-nitro-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 3-nitro-N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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