5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-2-[[4-(2-thienylsulfonyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C25H25N5O4S3 MolecularWeight: 555.6921

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)C3COC4=CC=CC=C4O3)C5=CC=CC=C5)S(=O)(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)C3COC4=CC=CC=C4O3)C5=CC=CC=C5)S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C25H25N5O4S3/c31-37(32,23-11-6-16-36-23)28-14-12-27(13-15-28)18-29-25(35)30(19-7-2-1-3-8-19)24(26-29)22-17-33-20-9-4-5-10-21(20)34-22/h1-11,16,22H,12-15,17-18H2