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

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H12Cl2N4S MolecularWeight: 375.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12Cl2N4S/c1-11(10-20)24-17-22-21-16(12-2-4-13(18)5-3-12)23(17)15-8-6-14(19)7-9-15/h2-9,11H,1H3