4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-olate

Systemtic Name: 4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-olate Openeye Name: 5-isopropylsulfanyl-4-phenyl-1,2,4-triazol-3-olate CAS Name: 4-phenyl-5-(propan-2-ylthio)-1,2,4-triazol-3-olate IUPAC Name: 4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-olate Traditional Name: 5-(isopropylthio)-4-phenyl-1,2,4-triazol-3-olate Formula: C11H12N3OS- MolecularWeight: 234.29748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C11H13N3OS/c1-8(2)16-11-13-12-10(15)14(11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,15)/p-1