2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-1-phenylbutylideneamino]ethanamide

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-1-phenylbutylideneamino]ethanamide Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-1-phenylbutylideneamino]acetamide CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(Z)-1-phenylbutylideneamino]acetamide IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-1-phenylbutylideneamino]acetamide Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(Z)-1-phenylbutylideneamino]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC/C(=N/NC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-3-10-18(16-11-6-4-7-12-16)22-23-19(27)15-28-21-25-24-20(26(21)2)17-13-8-5-9-14-17/h4-9,11-14H,3,10,15H2,1-2H3,(H,23,27)/b22-18-