2-[[[3-(naphthalen-2-yloxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]propanedinitrile

Systemtic Name: 2-[[[3-(naphthalen-2-yloxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]propanedinitrile Openeye Name: 2-[[[3-(2-naphthyloxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]propanedinitrile CAS Name: 2-[[[3-(2-naphthalenyloxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]propanedinitrile IUPAC Name: 2-[[[3-(naphthalen-2-yloxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]propanedinitrile Traditional Name: 2-[[[3-(2-naphthoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]malononitrile Formula: C17H12N6OS MolecularWeight: 348.38178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC3=NNC(=S)N3NC=C(C#N)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC3=NNC(=S)N3NC=C(C#N)C#N

InChI

InChI=1S/C17H12N6OS/c18-8-12(9-19)10-20-23-16(21-22-17(23)25)11-24-15-6-5-13-3-1-2-4-14(13)7-15/h1-7,10,20H,11H2,(H,22,25)