(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N5OS/c1-5-16(6-2)20-23-24-21(28-20)22-19(27)13-12-18-14(3)25-26(15(18)4)17-10-8-7-9-11-17/h7-13,16H,5-6H2,1-4H3,(H,22,24,27)/b13-12+