1-(5-nitro-2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(5-nitro-2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(5-nitroindolin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(5-nitro-2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(5-nitro-2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(5-nitroindolin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N5O3S/c24-16(22-9-8-13-10-14(23(25)26)6-7-15(13)22)11-27-18-19-17(20-21-18)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20,21)