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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)CC3=CC=CC=C3

InChI

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