2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-mesyl-1,3-benzothiazole Formula: C25H19N5O2S3 MolecularWeight: 517.64566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4=CC=CC=C4)CC5=CNC6=CC=CC=C65

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4=CC=CC=C4)CC5=CNC6=CC=CC=C65

InChI

InChI=1S/C25H19N5O2S3/c1-35(31,32)18-11-12-21-22(14-18)33-25(27-21)34-24-29-28-23(30(24)17-7-3-2-4-8-17)13-16-15-26-20-10-6-5-9-19(16)20/h2-12,14-15,26H,13H2,1H3