1-[(4-azanyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(4-azanyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(4-amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[(4-amino-5-anilino-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(4-amino-5-anilino-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(4-amino-5-anilino-1,2,4-triazol-3-yl)thio]acetone Formula: C11H13N5OS MolecularWeight: 263.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1N)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)CSC1=NN=C(N1N)NC2=CC=CC=C2

InChI

InChI=1S/C11H13N5OS/c1-8(17)7-18-11-15-14-10(16(11)12)13-9-5-3-2-4-6-9/h2-6H,7,12H2,1H3,(H,13,14)