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

Systemtic Name: 4-[[5-(2-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-allyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[5-(2-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[5-(2-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-allyl-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O3S/c1-2-11-23-18(15-5-3-4-6-16(15)24(26)27)21-22-19(23)28-12-13-7-9-14(10-8-13)17(20)25/h2-10H,1,11-12H2,(H2,20,25)