4-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-N-propyl-benzamide

Systemtic Name: 4-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-N-propyl-benzamide Openeye Name: 4-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-N-propyl-benzamide CAS Name: 4-[[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-methyl-N-propylbenzamide IUPAC Name: 4-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-N-propylbenzamide Traditional Name: 4-[[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-methyl-N-propyl-benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c1-4-14-25(3)21(28)18-8-6-16(7-9-18)15-31-22-24-23-20(26(22)5-2)17-10-12-19(13-11-17)27(29)30/h6-13H,4-5,14-15H2,1-3H3