3,3-dimethyl-1-(5-propylthiophen-2-yl)-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol

Systemtic Name: 3,3-dimethyl-1-(5-propylthiophen-2-yl)-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Openeye Name: 3,3-dimethyl-1-(5-propyl-2-thienyl)-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol CAS Name: 3,3-dimethyl-1-(5-propyl-2-thiophenyl)-2-(1,2,4-triazol-1-ylmethyl)-2-butanol IUPAC Name: 3,3-dimethyl-1-(5-propylthiophen-2-yl)-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Traditional Name: 3,3-dimethyl-1-(5-propyl-2-thienyl)-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)CC(CN2C=NC=N2)(C(C)(C)C)O

Isomeric SMILES

CCCC1=CC=C(S1)CC(CN2C=NC=N2)(C(C)(C)C)O

InChI

InChI=1S/C16H25N3OS/c1-5-6-13-7-8-14(21-13)9-16(20,15(2,3)4)10-19-12-17-11-18-19/h7-8,11-12,20H,5-6,9-10H2,1-4H3