2-[[4-azanyl-5-(3-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-azanyl-5-(3-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-amino-5-(3-benzyloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-amino-5-(3-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-amino-5-(3-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-amino-5-(3-benzoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN=C(N3N)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN=C(N3N)SCC#N

InChI

InChI=1S/C17H15N5OS/c18-9-10-24-17-21-20-16(22(17)19)14-7-4-8-15(11-14)23-12-13-5-2-1-3-6-13/h1-8,11H,10,12,19H2