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

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

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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=CC=C3

Isomeric SMILES

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

InChI

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