3-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-phenyltriazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-phenyl-4-triazolyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-phenyltriazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-phenyltriazol-4-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H16N6OS MolecularWeight: 316.38144

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H16N6OS/c1-2-8-19-13(21)16-17-14(19)22-10-11-9-15-20(18-11)12-6-4-3-5-7-12/h3-7,9H,2,8,10H2,1H3,(H,16,21)