2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-propoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-propoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-propoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(4-propoxybenzylidene)amino]acetamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H29N5O4S/c1-4-16-37-23-13-10-20(11-14-23)18-29-30-26(34)19-38-28-32-31-27(33(28)22-8-6-5-7-9-22)21-12-15-24(35-2)25(17-21)36-3/h5-15,17-18H,4,16,19H2,1-3H3,(H,30,34)/b29-18+