3-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarbonitrile

Systemtic Name: 3-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarbonitrile Openeye Name: 3-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzonitrile CAS Name: 3-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzonitrile IUPAC Name: 3-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzonitrile Traditional Name: 3-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzonitrile Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCC1=NNC(=S)N1C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H12N4S/c1-2-4-11-14-15-12(17)16(11)10-6-3-5-9(7-10)8-13/h3,5-7H,2,4H2,1H3,(H,15,17)