3-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 3-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile Openeye Name: 3-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)propanenitrile CAS Name: 3-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 3-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile Traditional Name: 3-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)propionitrile Formula: C14H14N4S MolecularWeight: 270.35276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CCC#N)C2=CC=CC=C2

Isomeric SMILES

C=CCN1C(=NN(C1=S)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4S/c1-2-10-17-13(12-7-4-3-5-8-12)16-18(14(17)19)11-6-9-15/h2-5,7-8H,1,6,10-11H2