3-nitro-4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide

Systemtic Name: 3-nitro-4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide Openeye Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide CAS Name: 3-nitro-4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]benzamide IUPAC Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzamide Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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