N-[3-[(4-nitrophenyl)amino]propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3-[(4-nitrophenyl)amino]propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[3-(4-nitroanilino)propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[3-(4-nitroanilino)propyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[3-(4-nitroanilino)propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[3-(4-nitroanilino)propyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NN2)C(=O)NCCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NN2)C(=O)NCCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3S/c26-18(15-4-2-14(3-5-15)12-29-19-22-13-23-24-19)21-11-1-10-20-16-6-8-17(9-7-16)25(27)28/h2-9,13,20H,1,10-12H2,(H,21,26)(H,22,23,24)