4-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5OS/c1-2-20-12-7-5-11(6-8-12)13-17-18-14(19(13)16)21-10-4-3-9-15/h5-8H,2-4,10,16H2,1H3