2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H17N5O2S/c1-24-15-7-4-8-16(9-15)25-11-17-21-22-18(23(17)20)26-12-14-6-3-2-5-13(14)10-19/h2-9H,11-12,20H2,1H3