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

Systemtic Name: N-(3-methyl-4-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-(3-methyl-4-nitro-phenyl)acetamide CAS Name: N-(3-methyl-4-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-(3-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]-N-(3-methyl-4-nitro-phenyl)acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-3-11-25-19(13-16-7-5-4-6-8-16)23-24-21(25)30-14-20(27)22-17-9-10-18(26(28)29)15(2)12-17/h4-10,12H,3,11,13-14H2,1-2H3,(H,22,27)