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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCCC#N)C2=CC=C(C=C2)Cl

InChI

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