chloranylbenzene; 3,3-dimethyl-4-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: chloranylbenzene; 3,3-dimethyl-4-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: chlorobenzene; 3,3-dimethyl-4-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: chlorobenzene; 4-mercapto-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: chlorobenzene; 3,3-dimethyl-4-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: chlorobenzene; 4-mercapto-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C14H20ClN3OS MolecularWeight: 313.8461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS)C(CN1C=NC=N1)O.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(CS)C(CN1C=NC=N1)O.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C8H15N3OS.C6H5Cl/c1-8(2,4-13)7(12)3-11-6-9-5-10-11;7-6-4-2-1-3-5-6/h5-7,12-13H,3-4H2,1-2H3;1-5H