N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide CAS Name: N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: N-[5-(4-nitrobenzyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-2-3-11(18)14-13-16-15-12(21-13)8-9-4-6-10(7-5-9)17(19)20/h4-7H,2-3,8H2,1H3,(H,14,16,18)