N-(4-ethanoylphenyl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(4-acetylphenyl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-(4-acetylphenyl)-2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4S/c1-4-14-27-21(17-8-12-19(13-9-17)28(31)32)25-26-23(27)33-20(5-2)22(30)24-18-10-6-16(7-11-18)15(3)29/h4,6-13,20H,1,5,14H2,2-3H3,(H,24,30)