N-(4-ethoxy-2-nitro-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-3-12-25-20(15-8-6-5-7-9-15)23-24-21(25)31-14-19(27)22-17-11-10-16(30-4-2)13-18(17)26(28)29/h3,5-11,13H,1,4,12,14H2,2H3,(H,22,27)