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

Systemtic Name: 4-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-amino-5-m-phenetyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N5OS/c1-2-24-16-5-3-4-15(10-16)17-21-22-18(23(17)20)25-12-14-8-6-13(11-19)7-9-14/h3-10H,2,12,20H2,1H3