5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(1,3-diphenyl-4-pyrazolyl)methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(1,3-diphenylpyrazol-4-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C21H19N5S2 MolecularWeight: 405.53906

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5S2/c1-2-13-22-20-23-24-21(28-20)27-15-17-14-26(18-11-7-4-8-12-18)25-19(17)16-9-5-3-6-10-16/h2-12,14H,1,13,15H2,(H,22,23)