1-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]methyl]-4-phenyl-5-tetrazolethione IUPAC Name: 1-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-4-phenyltetrazole-5-thione Traditional Name: 1-[[4-(2-methoxy-5-methyl-benzyl)piperazino]methyl]-4-phenyl-tetrazole-5-thione Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CN3C(=S)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CN3C(=S)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6OS/c1-17-8-9-20(28-2)18(14-17)15-24-10-12-25(13-11-24)16-26-21(29)27(23-22-26)19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3