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

Systemtic Name: 3-[3-[(4-chloranylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide; copper Openeye Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propanamide; copper CAS Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide; copper IUPAC Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide; copper Traditional Name: 3-[3-[(4-chlorophenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propionamide; copper Formula: C18H17ClCuN4O2S MolecularWeight: 452.41718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)N)COC3=CC=C(C=C3)Cl.[Cu]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)N)COC3=CC=C(C=C3)Cl.[Cu]

InChI

InChI=1S/C18H17ClN4O2S.Cu/c19-13-6-8-15(9-7-13)25-12-17-21-22(11-10-16(20)24)18(26)23(17)14-4-2-1-3-5-14;/h1-9H,10-12H2,(H2,20,24);