1-[2-ethyl-1-(4-isothiocyanatophenyl)butyl]-1,2,4-triazole

Systemtic Name: 1-[2-ethyl-1-(4-isothiocyanatophenyl)butyl]-1,2,4-triazole Openeye Name: 1-[2-ethyl-1-(4-isothiocyanatophenyl)butyl]-1,2,4-triazole CAS Name: 1-[2-ethyl-1-(4-isothiocyanatophenyl)butyl]-1,2,4-triazole IUPAC Name: 1-[2-ethyl-1-(4-isothiocyanatophenyl)butyl]-1,2,4-triazole Traditional Name: 1-[2-ethyl-1-(4-isothiocyanatophenyl)butyl]-1,2,4-triazole Formula: C15H18N4S MolecularWeight: 286.39522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=C(C=C1)N=C=S)N2C=NC=N2

Isomeric SMILES

CCC(CC)C(C1=CC=C(C=C1)N=C=S)N2C=NC=N2

InChI

InChI=1S/C15H18N4S/c1-3-12(4-2)15(19-10-16-9-18-19)13-5-7-14(8-6-13)17-11-20/h5-10,12,15H,3-4H2,1-2H3