4-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C19H16ClN5O3S MolecularWeight: 429.88004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O3S/c1-2-9-24-18(12-5-7-15(20)8-6-12)22-23-19(24)29-11-14-4-3-13(17(21)26)10-16(14)25(27)28/h2-8,10H,1,9,11H2,(H2,21,26)