4-ethoxy-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-nitro-benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-ethoxy-3-nitro-benzamide CAS Name: 4-ethoxy-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-3-nitrobenzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-4-ethoxy-3-nitro-benzamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c1-3-28-17-10-9-15(11-16(17)24(26)27)18(25)22-23-13(2)20-21-19(23)29-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,25)