1-[4-(3-methylbutylsulfanyl)phenyl]-3-(1,2,4-triazol-1-yl)propan-1-ol

Systemtic Name: 1-[4-(3-methylbutylsulfanyl)phenyl]-3-(1,2,4-triazol-1-yl)propan-1-ol Openeye Name: 1-(4-isopentylsulfanylphenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol CAS Name: 1-[4-(3-methylbutylthio)phenyl]-3-(1,2,4-triazol-1-yl)-1-propanol IUPAC Name: 1-[4-(3-methylbutylsulfanyl)phenyl]-3-(1,2,4-triazol-1-yl)propan-1-ol Traditional Name: 1-[4-(isoamylthio)phenyl]-3-(1,2,4-triazol-1-yl)propan-1-ol Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C(CCN2C=NC=N2)O

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)C(CCN2C=NC=N2)O

InChI

InChI=1S/C16H23N3OS/c1-13(2)8-10-21-15-5-3-14(4-6-15)16(20)7-9-19-12-17-11-18-19/h3-6,11-13,16,20H,7-10H2,1-2H3