4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-phenylsulfanylpropyl)benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-phenylsulfanylpropyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-phenylsulfanylpropyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[3-(phenylthio)propyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-phenylsulfanylpropyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[3-(phenylthio)propyl]benzamide Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S2/c1-23-13-21-22-19(23)29-17-9-8-14(12-16(17)24(26)27)18(25)20-10-5-11-28-15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,20,25)