N,N-diethylethanamine; isothiocyanatobenzene; methanol; hydrate

Systemtic Name: N,N-diethylethanamine; isothiocyanatobenzene; methanol; hydrate Openeye Name: N,N-diethylethanamine; isothiocyanatobenzene; methanol; hydrate CAS Name: N,N-diethylethanamine; isothiocyanatobenzene; methanol; hydrate IUPAC Name: N,N-diethylethanamine; isothiocyanatobenzene; methanol; hydrate Traditional Name: isothiocyanatobenzene; methanol; triethylamine; hydrate Formula: C14H26N2O2S MolecularWeight: 286.43344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CO.C1=CC=C(C=C1)N=C=S.O

Isomeric SMILES

CCN(CC)CC.CO.C1=CC=C(C=C1)N=C=S.O

InChI

InChI=1S/C7H5NS.C6H15N.CH4O.H2O/c9-6-8-7-4-2-1-3-5-7;1-4-7(5-2)6-3;1-2;/h1-5H;4-6H2,1-3H3;2H,1H3;1H2