3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1]benzothiolo[2,3-d][1,2,3]triazole

Systemtic Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1]benzothiolo[2,3-d][1,2,3]triazole Openeye Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]benzothiopheno[2,3-d]triazole CAS Name: 3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-[1]benzothiolo[2,3-d]triazole IUPAC Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1]benzothiolo[2,3-d]triazole Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazino]propyl]benzothiopheno[2,3-d]triazole Formula: C21H22ClN5S MolecularWeight: 411.95088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=C(C4=CC=CC=C4S3)N=N2)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCN2C3=C(C4=CC=CC=C4S3)N=N2)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H22ClN5S/c22-16-5-3-6-17(15-16)26-13-11-25(12-14-26)9-4-10-27-21-20(23-24-27)18-7-1-2-8-19(18)28-21/h1-3,5-8,15H,4,9-14H2