N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(3-methoxyphenyl)methyleneamino]acetamide CAS Name: N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(E)-m-anisylideneamino]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=NNC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)/C=N/NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-3-12-26-20(17-9-5-4-6-10-17)24-25-21(26)29-15-19(27)23-22-14-16-8-7-11-18(13-16)28-2/h3-11,13-14H,1,12,15H2,2H3,(H,23,27)/b22-14+