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

Systemtic Name: N-[(E)-(1,3-diphenylpyrazol-4-yl)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)-(1,3-diphenylpyrazol-4-yl)methyleneamino]acetamide CAS Name: N-[(E)-(1,3-diphenyl-4-pyrazolyl)methylideneamino]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(E)-(1,3-diphenylpyrazol-4-yl)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)-(1,3-diphenylpyrazol-4-yl)methyleneamino]acetamide Formula: C29H25N7OS MolecularWeight: 519.6201

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N/N=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N7OS/c1-2-18-35-28(23-14-8-4-9-15-23)32-33-29(35)38-21-26(37)31-30-19-24-20-36(25-16-10-5-11-17-25)34-27(24)22-12-6-3-7-13-22/h2-17,19-20H,1,18,21H2,(H,31,37)/b30-19+