5-[(3-bromophenyl)amino]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(3-bromophenyl)amino]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-bromoanilino)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-bromoanilino)-3-[(4-phenyl-1-piperazinyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-bromoanilino)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3-bromoanilino)-3-[(4-phenylpiperazino)methyl]-1,3,4-thiadiazole-2-thione Formula: C19H20BrN5S2 MolecularWeight: 462.4296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)SC(=N2)NC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C(=S)SC(=N2)NC3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C19H20BrN5S2/c20-15-5-4-6-16(13-15)21-18-22-25(19(26)27-18)14-23-9-11-24(12-10-23)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,21,22)