3-nitro-4-[[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]amino]phenol

Systemtic Name: 3-nitro-4-[[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]amino]phenol Openeye Name: 3-nitro-4-[4-(1H-1,2,4-triazol-5-ylsulfanyl)anilino]phenol CAS Name: 3-nitro-4-[4-(1H-1,2,4-triazol-5-ylthio)anilino]phenol IUPAC Name: 3-nitro-4-[4-(1H-1,2,4-triazol-5-ylsulfanyl)anilino]phenol Traditional Name: 3-nitro-4-[4-(1H-1,2,4-triazol-5-ylthio)anilino]phenol Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)O)[N+](=O)[O-])SC3=NC=NN3

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)O)[N+](=O)[O-])SC3=NC=NN3

InChI

InChI=1S/C14H11N5O3S/c20-10-3-6-12(13(7-10)19(21)22)17-9-1-4-11(5-2-9)23-14-15-8-16-18-14/h1-8,17,20H,(H,15,16,18)