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

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H10Cl2N4S MolecularWeight: 361.2484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC#N)Cl

InChI

InChI=1S/C16H10Cl2N4S/c17-12-3-1-11(2-4-12)15-20-21-16(23-10-9-19)22(15)14-7-5-13(18)6-8-14/h1-8H,10H2