2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]ethanenitrile Openeye Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetonitrile CAS Name: 2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]acetonitrile IUPAC Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetonitrile Traditional Name: 2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]acetonitrile Formula: C11H10ClN5S MolecularWeight: 279.7486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2CC#N)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2CC#N)N)Cl

InChI

InChI=1S/C11H10ClN5S/c12-9-4-2-1-3-8(9)7-18-11-16-15-10(14)17(11)6-5-13/h1-4H,6-7H2,(H2,14,15)