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

Systemtic Name: 4-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-aniline Openeye Name: 4-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-aniline CAS Name: 4-[5-(1,3-benzothiazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethylaniline IUPAC Name: 4-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-diethylaniline Traditional Name: [4-[5-(1,3-benzothiazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-diethyl-amine Formula: C21H23N5S2 MolecularWeight: 409.57082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N5S2/c1-4-26(5-2)16-12-10-15(11-13-16)20-23-24-21(25(20)3)27-14-19-22-17-8-6-7-9-18(17)28-19/h6-13H,4-5,14H2,1-3H3