4-azanyl-5-phenyl-2-(2-sulfanylethyl)-1,2,4-triazol-3-one

Systemtic Name: 4-azanyl-5-phenyl-2-(2-sulfanylethyl)-1,2,4-triazol-3-one Openeye Name: 4-amino-5-phenyl-2-(2-sulfanylethyl)-1,2,4-triazol-3-one CAS Name: 4-amino-2-(2-mercaptoethyl)-5-phenyl-1,2,4-triazol-3-one IUPAC Name: 4-amino-5-phenyl-2-(2-sulfanylethyl)-1,2,4-triazol-3-one Traditional Name: 4-amino-2-(2-mercaptoethyl)-5-phenyl-1,2,4-triazol-3-one Formula: C10H12N4OS MolecularWeight: 236.29348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)N2N)CCS

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)N2N)CCS

InChI

InChI=1S/C10H12N4OS/c11-14-9(8-4-2-1-3-5-8)12-13(6-7-16)10(14)15/h1-5,16H,6-7,11H2