N-(2-methoxyethyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-(2-methoxyethyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-(2-methoxyethyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(2-methoxyethyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(2-methoxyethyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-(2-methoxyethyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S/c1-30-14-13-22-19(27)8-5-15-31-21-24-23-20(25(21)17-6-3-2-4-7-17)16-9-11-18(12-10-16)26(28)29/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,22,27)