3-[3-[(4-chloranylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(4-chloranylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Openeye Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propanenitrile CAS Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile IUPAC Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Traditional Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propionitrile Formula: C18H15ClN4OS MolecularWeight: 370.8559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)CCC#N)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)CCC#N)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4OS/c19-14-7-9-16(10-8-14)24-13-17-21-22(12-4-11-20)18(25)23(17)15-5-2-1-3-6-15/h1-3,5-10H,4,12-13H2