N-(2-methoxy-5-nitro-phenyl)-2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O4S/c1-3-11-25-19(12-15-7-5-4-6-8-15)23-24-21(25)31-14-20(27)22-17-13-16(26(28)29)9-10-18(17)30-2/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,27)