3-[3-(2-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Openeye Name: 3-[4-allyl-3-(2-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propanenitrile CAS Name: 3-[3-(2-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile IUPAC Name: 3-[3-(2-chlorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Traditional Name: 3-[4-allyl-3-(2-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propionitrile Formula: C14H13ClN4S MolecularWeight: 304.79782

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CCC#N)C2=CC=CC=C2Cl

Isomeric SMILES

C=CCN1C(=NN(C1=S)CCC#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H13ClN4S/c1-2-9-18-13(11-6-3-4-7-12(11)15)17-19(14(18)20)10-5-8-16/h2-4,6-7H,1,5,9-10H2