5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-prop-2-ynylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-prop-2-ynylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-prop-2-ynylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-2-[(4-prop-2-ynyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-prop-2-ynylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-2-[(4-propargylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C24H25N6S3+ MolecularWeight: 493.6905

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC[NH+](CC1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C#CCN1CC[NH+](CC1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6S3/c1-2-12-27-13-15-28(16-14-27)18-29-24(31)30(19-8-4-3-5-9-19)22(26-29)17-32-23-25-20-10-6-7-11-21(20)33-23/h1,3-11H,12-18H2/p+1