4-chloranyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-chloro-benzamide Formula: C20H18ClN5O3S MolecularWeight: 443.90662

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN5O3S/c1-2-11-25-18(12-22-19(27)15-5-7-16(21)8-6-15)23-24-20(25)30-13-14-3-9-17(10-4-14)26(28)29/h2-10H,1,11-13H2,(H,22,27)