2-(4-azanyl-5-oxidanylidene-3-phenyl-1,2,4-triazol-1-yl)ethyl carbamimidothioate

Systemtic Name: 2-(4-azanyl-5-oxidanylidene-3-phenyl-1,2,4-triazol-1-yl)ethyl carbamimidothioate Openeye Name: 2-[2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl ester IUPAC Name: 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl carbamimidothioate Traditional Name: 2-[2-(4-amino-5-keto-3-phenyl-1,2,4-triazol-1-yl)ethyl]isothiourea Formula: C11H14N6OS MolecularWeight: 278.33346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)N2N)CCSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)N2N)CCSC(=N)N

InChI

InChI=1S/C11H14N6OS/c12-10(13)19-7-6-16-11(18)17(14)9(15-16)8-4-2-1-3-5-8/h1-5H,6-7,14H2,(H3,12,13)