[4-(1,2,4-triazol-1-yl)phenyl]methanethiol

Systemtic Name: [4-(1,2,4-triazol-1-yl)phenyl]methanethiol Openeye Name: [4-(1,2,4-triazol-1-yl)phenyl]methanethiol CAS Name: [4-(1,2,4-triazol-1-yl)phenyl]methanethiol IUPAC Name: [4-(1,2,4-triazol-1-yl)phenyl]methanethiol Traditional Name: [4-(1,2,4-triazol-1-yl)phenyl]methanethiol Formula: C9H9N3S MolecularWeight: 191.25286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1CS)N2C=NC=N2

InChI

InChI=1S/C9H9N3S/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-4,6-7,13H,5H2