3-nitro-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-3-nitro-benzamide Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S2/c17-14(22)10-6-7-11(13(8-10)21(23)24)9-25-16-20-19-15(26-16)18-12-4-2-1-3-5-12/h1-8H,9H2,(H2,17,22)(H,18,19)