4-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-aniline

Systemtic Name: 4-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-aniline Openeye Name: 4-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-aniline CAS Name: 4-[5-(1,3-benzothiazol-2-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylaniline IUPAC Name: 4-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylaniline Traditional Name: [4-[5-(1,3-benzothiazol-2-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-diethyl-amine Formula: C26H25N5S2 MolecularWeight: 471.6402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N5S2/c1-3-30(4-2)20-16-14-19(15-17-20)25-28-29-26(31(25)21-10-6-5-7-11-21)32-18-24-27-22-12-8-9-13-23(22)33-24/h5-17H,3-4,18H2,1-2H3