1-(2,2-dimethylpropyl)-4-(2-ethyl-6-propan-2-yl-phenyl)-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(2,2-dimethylpropyl)-4-(2-ethyl-6-propan-2-yl-phenyl)-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(2,2-dimethylpropyl)-4-(2-ethyl-6-isopropyl-phenyl)tetrazole-5-thione CAS Name: 1-(2,2-dimethylpropyl)-4-(2-ethyl-6-propan-2-ylphenyl)-5-tetrazolethione IUPAC Name: 1-(2,2-dimethylpropyl)-4-(2-ethyl-6-propan-2-ylphenyl)tetrazole-5-thione Traditional Name: 1-(2-ethyl-6-isopropyl-phenyl)-4-neopentyl-tetrazole-5-thione Formula: C17H26N4S MolecularWeight: 318.48014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)N2C(=S)N(N=N2)CC(C)(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)N2C(=S)N(N=N2)CC(C)(C)C

InChI

InChI=1S/C17H26N4S/c1-7-13-9-8-10-14(12(2)3)15(13)21-16(22)20(18-19-21)11-17(4,5)6/h8-10,12H,7,11H2,1-6H3