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

Systemtic Name: 3-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one CAS Name: 3-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-13(23)14(2)24-18-21-20-17(19-15-9-5-3-6-10-15)22(18)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,19,20)