1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(phenylmethyl)piperazine

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[(S)-(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]piperazine CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine Traditional Name: 1-benzyl-4-[(S)-(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]piperazine Formula: C21H28N6S MolecularWeight: 396.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@@H](C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6S/c1-21(2,3)27-20(22-23-24-27)19(18-10-7-15-28-18)26-13-11-25(12-14-26)16-17-8-5-4-6-9-17/h4-10,15,19H,11-14,16H2,1-3H3/t19-/m1/s1