3-[[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-4-fluoro-benzonitrile Formula: C14H16FN5S MolecularWeight: 305.373743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)CN(C)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC1=NN(C(=S)N1C)CN(C)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C14H16FN5S/c1-10-17-20(14(21)19(10)3)9-18(2)8-12-6-11(7-16)4-5-13(12)15/h4-6H,8-9H2,1-3H3